3-cyclohexyl-2,2-difluoro-3-hydroxypropanoate

C9H13F2O3- — CID 164746791

IUPAC3-cyclohexyl-2,2-difluoro-3-hydroxypropanoate
SMILESO=C([O-])C(F)(F)C(O)C1CCCCC1
InChIInChI=1S/C9H14F2O3/c10-9(11,8(13)14)7(12)6-4-2-1-3-5-6/h6-7,12H,1-5H2,(H,13,14)/p-1
InChIKeyVHMUUCCRPDFGKL-UHFFFAOYSA-M
MW207.20 g/mol
LogP0.31
Rot. Bonds3

About 3-cyclohexyl-2,2-difluoro-3-hydroxypropanoate

3-cyclohexyl-2,2-difluoro-3-hydroxypropanoate (PubChem CID 164746791) has the molecular formula C9H13F2O3- and a molecular weight of 207.20 g/mol. Its IUPAC name is 3-cyclohexyl-2,2-difluoro-3-hydroxypropanoate.

Molecular Properties

Compound Name3-cyclohexyl-2,2-difluoro-3-hydroxypropanoate
PubChem CID164746791
Molecular FormulaC9H13F2O3-
Molecular Weight207.20 g/mol
Exact Mass207.08
IUPAC Name3-cyclohexyl-2,2-difluoro-3-hydroxypropanoate
SMILESO=C([O-])C(F)(F)C(O)C1CCCCC1
InChIInChI=1S/C9H14F2O3/c10-9(11,8(13)14)7(12)6-4-2-1-3-5-6/h6-7,12H,1-5H2,(H,13,14)/p-1
InChIKeyVHMUUCCRPDFGKL-UHFFFAOYSA-M
XLogP0.31
TPSA60.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.20
LogP ≤ 50.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-cyclopentyl-2,2-difluoro-3-hydroxypropanoic acid
CID 62397462
2-bromo-1-cyclohexyl-2,2-difluoroethanol
CID 107140105
3-cyclohexyl-2,2-difluoro-3-methylsulfonyloxypropanoate
CID 164747691
1-cyclohexyl-2,2,3,3,4,4,4-heptafluorobutan-1-ol
CID 154329934
3-amino-1-cycloheptyl-2,2-difluoropropan-1-ol
CID 105460342
cyclohexylazanium;2,2,2-trifluoroacetate
CID 69179131
ethyl 2-bromo-3-cyclohexyl-2-fluoro-3-hydroxypropanoate
CID 14936847
ethyl (2S,3R)-2-bromo-3-cyclohexyl-2-fluoro-3-hydroxypropanoate
CID 11120034
2,2-difluoro-3-hydroxybutanoate
CID 140854807
2-cyclohexyloxy-2,2-difluoroacetate
CID 164746573
tricyclopentyl(methyl)phosphanium;2,2,2-trifluoroacetate
CID 70545717
5-amino-5-cyclohexyl-2,2-difluoro-3-hydroxypentanoic acid
CID 67915104

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-2,2-difluoro-3-hydroxypropanoate?
The IUPAC name of 3-cyclohexyl-2,2-difluoro-3-hydroxypropanoate (CID 164746791) is 3-cyclohexyl-2,2-difluoro-3-hydroxypropanoate.
What is the SMILES notation for 3-cyclohexyl-2,2-difluoro-3-hydroxypropanoate?
The canonical SMILES for 3-cyclohexyl-2,2-difluoro-3-hydroxypropanoate is O=C([O-])C(F)(F)C(O)C1CCCCC1.
What is the InChIKey of 3-cyclohexyl-2,2-difluoro-3-hydroxypropanoate?
The InChIKey is VHMUUCCRPDFGKL-UHFFFAOYSA-M. The full InChI is InChI=1S/C9H14F2O3/c10-9(11,8(13)14)7(12)6-4-2-1-3-5-6/h6-7,12H,1-5H2,(H,13,14)/p-1.
What are the key properties of 3-cyclohexyl-2,2-difluoro-3-hydroxypropanoate?
3-cyclohexyl-2,2-difluoro-3-hydroxypropanoate has a molecular weight of 207.20 g/mol, XLogP of 0.31, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-2,2-difluoro-3-hydroxypropanoate is sourced from PubChem (CID 164746791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).