1-fluoro-2-hydroxycyclohexane-1-carboxylic acid

C7H11FO3 — CID 19783093

IUPAC1-fluoro-2-hydroxycyclohexane-1-carboxylic acid
SMILESO=C(O)C1(F)CCCCC1O
InChIInChI=1S/C7H11FO3/c8-7(6(10)11)4-2-1-3-5(7)9/h5,9H,1-4H2,(H,10,11)
InChIKeyWNCRPOUEGBNPBL-UHFFFAOYSA-N
MW162.16 g/mol
LogP0.71
Rot. Bonds1

About 1-fluoro-2-hydroxycyclohexane-1-carboxylic acid

1-fluoro-2-hydroxycyclohexane-1-carboxylic acid (PubChem CID 19783093) has the molecular formula C7H11FO3 and a molecular weight of 162.16 g/mol. Its IUPAC name is 1-fluoro-2-hydroxycyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-fluoro-2-hydroxycyclohexane-1-carboxylic acid
PubChem CID19783093
Molecular FormulaC7H11FO3
Molecular Weight162.16 g/mol
Exact Mass162.07
IUPAC Name1-fluoro-2-hydroxycyclohexane-1-carboxylic acid
SMILESO=C(O)C1(F)CCCCC1O
InChIInChI=1S/C7H11FO3/c8-7(6(10)11)4-2-1-3-5(7)9/h5,9H,1-4H2,(H,10,11)
InChIKeyWNCRPOUEGBNPBL-UHFFFAOYSA-N
XLogP0.71
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.16
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-fluoro-2-hydroxycyclohexane-1-carboxylic acid?
The IUPAC name of 1-fluoro-2-hydroxycyclohexane-1-carboxylic acid (CID 19783093) is 1-fluoro-2-hydroxycyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-fluoro-2-hydroxycyclohexane-1-carboxylic acid?
The canonical SMILES for 1-fluoro-2-hydroxycyclohexane-1-carboxylic acid is O=C(O)C1(F)CCCCC1O.
What is the InChIKey of 1-fluoro-2-hydroxycyclohexane-1-carboxylic acid?
The InChIKey is WNCRPOUEGBNPBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11FO3/c8-7(6(10)11)4-2-1-3-5(7)9/h5,9H,1-4H2,(H,10,11).
What are the key properties of 1-fluoro-2-hydroxycyclohexane-1-carboxylic acid?
1-fluoro-2-hydroxycyclohexane-1-carboxylic acid has a molecular weight of 162.16 g/mol, XLogP of 0.71, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-2-hydroxycyclohexane-1-carboxylic acid is sourced from PubChem (CID 19783093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).