CCC(C(C(=O)OCC)(F)F)O
CAS: 1092693-68-9
Name: ethyl 2,2-difluoro-3-hydroxypentanoate
SMILES: CCC(C(C(=O)OCC)(F)F)O

Molecular Processing

Molecular formula
C7H12F2O3
Molecular weight
182.17
Exact mass
182.0755
XLogP
0.96
TPSA
46.53
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
4
Heavy atoms
12
Rings
0
Aromatic rings
0
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.857
Molar refractivity
37.88

Supplementary Information

InChIKey: ZSYORKWIMLXNSC-UHFFFAOYSA-N
Synonyme
Ethyl 2,2-difluoro-3-hydroxypentanoate1092693-68-9Ethyl2,2-difluoro-3-hydroxypentanoate2,2-difluoro-3-hydroxypentanoic acid ethyl esterSCHEMBL441786DTXSID50733250AKOS009143665SB84482ethyl 2,2-difluoro-3-hydroxy-pentanoateCS-01322052,2-difluoro-3-hydroxy-pentanoic acid ethyl ester
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