4-fluoro-1-phenylcyclohexane-1-carboxylic acid

C13H15FO2 — CID 83853907

IUPAC4-fluoro-1-phenylcyclohexane-1-carboxylic acid
SMILESO=C(O)C1(c2ccccc2)CCC(F)CC1
InChIInChI=1S/C13H15FO2/c14-11-6-8-13(9-7-11,12(15)16)10-4-2-1-3-5-10/h1-5,11H,6-9H2,(H,15,16)
InChIKeyOINPYVZKWFVUPZ-UHFFFAOYSA-N
MW222.26 g/mol
LogP2.92
Rot. Bonds2

About 4-fluoro-1-phenylcyclohexane-1-carboxylic acid

4-fluoro-1-phenylcyclohexane-1-carboxylic acid (PubChem CID 83853907) has the molecular formula C13H15FO2 and a molecular weight of 222.26 g/mol. Its IUPAC name is 4-fluoro-1-phenylcyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-fluoro-1-phenylcyclohexane-1-carboxylic acid
PubChem CID83853907
Molecular FormulaC13H15FO2
Molecular Weight222.26 g/mol
Exact Mass222.11
IUPAC Name4-fluoro-1-phenylcyclohexane-1-carboxylic acid
SMILESO=C(O)C1(c2ccccc2)CCC(F)CC1
InChIInChI=1S/C13H15FO2/c14-11-6-8-13(9-7-11,12(15)16)10-4-2-1-3-5-10/h1-5,11H,6-9H2,(H,15,16)
InChIKeyOINPYVZKWFVUPZ-UHFFFAOYSA-N
XLogP2.92
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.26
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-methoxy-1-phenylcyclohexane-1-carboxylic acid
CID 23294898
4-fluoro-1-phenylcyclohexan-1-amine
CID 83853906
3,3-difluoro-1-phenylcyclopentane-1-carboxylic acid
CID 105483674
cis-(1R,3R)-3-acetamido-1-phenylcyclopentane-1-carboxylic acid
CID 815452
4-hydroxy-1-(4-hydroxyphenyl)cyclohexane-1-carboxylic acid
CID 115041368
2-phenyl-1,3-dihydroindene-2-carboxylic acid
CID 15055778
4-carbamoyl-4-phenylcyclohexane-1-carboxylic acid
CID 115046067
4-hydroxy-1-(4-methylphenyl)cyclohexane-1-carboxylic acid
CID 83714976
cyclopentyl-(1-phenylcyclopropyl)methanone
CID 63080026
1-azabicyclo[2.2.2]octane;4-phenylpiperidine-4-carboxylic acid
CID 145196382
3-fluoro-1-(3-hydroxyphenyl)cyclobutane-1-carboxylic acid
CID 105463774
3-ethyl-1-phenylcyclobutane-1-carboxylic acid
CID 65000498

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-1-phenylcyclohexane-1-carboxylic acid?
The IUPAC name of 4-fluoro-1-phenylcyclohexane-1-carboxylic acid (CID 83853907) is 4-fluoro-1-phenylcyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-fluoro-1-phenylcyclohexane-1-carboxylic acid?
The canonical SMILES for 4-fluoro-1-phenylcyclohexane-1-carboxylic acid is O=C(O)C1(c2ccccc2)CCC(F)CC1.
What is the InChIKey of 4-fluoro-1-phenylcyclohexane-1-carboxylic acid?
The InChIKey is OINPYVZKWFVUPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FO2/c14-11-6-8-13(9-7-11,12(15)16)10-4-2-1-3-5-10/h1-5,11H,6-9H2,(H,15,16).
What are the key properties of 4-fluoro-1-phenylcyclohexane-1-carboxylic acid?
4-fluoro-1-phenylcyclohexane-1-carboxylic acid has a molecular weight of 222.26 g/mol, XLogP of 2.92, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-1-phenylcyclohexane-1-carboxylic acid is sourced from PubChem (CID 83853907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).