2,3-difluoro-4-hydroxycyclohexane-1-carboxylic acid

C7H10F2O3 — CID 174740400

IUPAC2,3-difluoro-4-hydroxycyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCC(O)C(F)C1F
InChIInChI=1S/C7H10F2O3/c8-5-3(7(11)12)1-2-4(10)6(5)9/h3-6,10H,1-2H2,(H,11,12)
InChIKeyOGPIWOWJKYNEIU-UHFFFAOYSA-N
MW180.15 g/mol
LogP0.52
Rot. Bonds1

About 2,3-difluoro-4-hydroxycyclohexane-1-carboxylic acid

2,3-difluoro-4-hydroxycyclohexane-1-carboxylic acid (PubChem CID 174740400) has the molecular formula C7H10F2O3 and a molecular weight of 180.15 g/mol. Its IUPAC name is 2,3-difluoro-4-hydroxycyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name2,3-difluoro-4-hydroxycyclohexane-1-carboxylic acid
PubChem CID174740400
Molecular FormulaC7H10F2O3
Molecular Weight180.15 g/mol
Exact Mass180.06
IUPAC Name2,3-difluoro-4-hydroxycyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCC(O)C(F)C1F
InChIInChI=1S/C7H10F2O3/c8-5-3(7(11)12)1-2-4(10)6(5)9/h3-6,10H,1-2H2,(H,11,12)
InChIKeyOGPIWOWJKYNEIU-UHFFFAOYSA-N
XLogP0.52
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.15
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(1S,2R,3R)-2,3-dihydroxycyclopentane-1-carboxylic acid
CID 45084677
3-hydroxy-2-methylcyclopentane-1-carboxylic acid
CID 55301199
cis-(2R,3S)-2,3,4-trihydroxycyclohexane-1-carboxylic acid
CID 89269522
(2R)-cyclobutane-1,2-dicarboxylic acid
CID 135193426
(1R)-2-fluorocyclopropane-1-carboxylic acid
CID 126485045
(1R,2S,4R,5S)-4,5-dihydroxycyclohexane-1,2-dicarboxylic acid
CID 68905410
2,3-difluoro-4-methylcyclohexan-1-ol
CID 89103699
2,3-dihydroxycyclobutane-1-carboxylic acid
CID 174933453
1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-1,4-dicarboxylic acid
CID 18691683
carbonic acid;cyclobutane-1,2-diol
CID 122598363
cis-(1R,2S)-cyclopropane-1,2-dicarboxylic acid
CID 726455
4-hydroxy-5-methylcyclohexane-1,2-dicarboxylic acid
CID 71027320

Frequently Asked Questions

What is the IUPAC name of 2,3-difluoro-4-hydroxycyclohexane-1-carboxylic acid?
The IUPAC name of 2,3-difluoro-4-hydroxycyclohexane-1-carboxylic acid (CID 174740400) is 2,3-difluoro-4-hydroxycyclohexane-1-carboxylic acid.
What is the SMILES notation for 2,3-difluoro-4-hydroxycyclohexane-1-carboxylic acid?
The canonical SMILES for 2,3-difluoro-4-hydroxycyclohexane-1-carboxylic acid is O=C(O)C1CCC(O)C(F)C1F.
What is the InChIKey of 2,3-difluoro-4-hydroxycyclohexane-1-carboxylic acid?
The InChIKey is OGPIWOWJKYNEIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F2O3/c8-5-3(7(11)12)1-2-4(10)6(5)9/h3-6,10H,1-2H2,(H,11,12).
What are the key properties of 2,3-difluoro-4-hydroxycyclohexane-1-carboxylic acid?
2,3-difluoro-4-hydroxycyclohexane-1-carboxylic acid has a molecular weight of 180.15 g/mol, XLogP of 0.52, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-difluoro-4-hydroxycyclohexane-1-carboxylic acid is sourced from PubChem (CID 174740400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).