C1=CC2=C(C=C1CCCO)OC(O2)(F)F
CAS: 1000543-47-4
Name: 3-(2,2-difluoro-1,3-benzodioxol-5-yl)propan-1-ol
SMILES: C1=CC2=C(C=C1CCCO)OC(O2)(F)F

Molecular Processing

Molecular formula
C10H10F2O3
Molecular weight
216.18
Exact mass
216.0598
XLogP
1.93
TPSA
38.69
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
3
Heavy atoms
15
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.4
Molar refractivity
48.05

Supplementary Information

InChIKey: MEEXSGWTJURVRM-UHFFFAOYSA-N
Synonyme
1000543-47-43-(2,2-Difluoro-benzo[1,3]dioxol-5-yl)-propan-1-ol2,2-difluoro-5-(3-hydroxypropyl)-1,3-benzodioxole3-(2,2-difluoro-1,3-benzodioxol-5-yl)propan-1-ol3-(2,2-difluoro-2H-1,3-benzodioxol-5-yl)propan-1-olSCHEMBL80862MFCD09927398A1-147293-(2,2-Difluorobenzo[1,3]dioxol-5-yl)-propan-1-ol3-(2,2-Difluorobenzo[d][1,3]dioxol-5-yl)propan-1-ol
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