2-[2-(4-fluorophenyl)cyclohexyl]acetic acid

C14H17FO2 — CID 82243391

IUPAC2-[2-(4-fluorophenyl)cyclohexyl]acetic acid
SMILESO=C(O)CC1CCCCC1c1ccc(F)cc1
InChIInChI=1S/C14H17FO2/c15-12-7-5-10(6-8-12)13-4-2-1-3-11(13)9-14(16)17/h5-8,11,13H,1-4,9H2,(H,16,17)
InChIKeyZTPGUVXIRVWFOH-UHFFFAOYSA-N
MW236.29 g/mol
LogP3.57
Rot. Bonds3

About 2-[2-(4-fluorophenyl)cyclohexyl]acetic acid

2-[2-(4-fluorophenyl)cyclohexyl]acetic acid (PubChem CID 82243391) has the molecular formula C14H17FO2 and a molecular weight of 236.29 g/mol. Its IUPAC name is 2-[2-(4-fluorophenyl)cyclohexyl]acetic acid.

Molecular Properties

Compound Name2-[2-(4-fluorophenyl)cyclohexyl]acetic acid
PubChem CID82243391
Molecular FormulaC14H17FO2
Molecular Weight236.29 g/mol
Exact Mass236.12
IUPAC Name2-[2-(4-fluorophenyl)cyclohexyl]acetic acid
SMILESO=C(O)CC1CCCCC1c1ccc(F)cc1
InChIInChI=1S/C14H17FO2/c15-12-7-5-10(6-8-12)13-4-2-1-3-11(13)9-14(16)17/h5-8,11,13H,1-4,9H2,(H,16,17)
InChIKeyZTPGUVXIRVWFOH-UHFFFAOYSA-N
XLogP3.57
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.29
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[2-(4-bromophenyl)cyclohexyl]acetic acid
CID 82251834
2-[2-(2-fluorophenyl)cycloheptyl]acetic acid
CID 82244846
2-[(1R,3S,4R)-4-amino-3-(4-fluorophenyl)cyclohexyl]acetic acid
CID 123536470
2-[3-(4-hydroxyphenyl)piperidin-4-yl]acetic acid
CID 117167997
2-[2-(2-methoxyphenyl)cyclohexyl]acetic acid
CID 66651942
methyl 2-[2-(4-methylphenyl)cycloheptyl]acetate
CID 82245970
2-[2-(2,5-dichlorophenyl)cyclohexyl]acetic acid
CID 82250027
(1R)-2-(4-fluorophenyl)cyclopentan-1-amine
CID 70223067
2-[(2S,3R)-3-(4-fluorophenyl)-8-methyl-8-azabicyclo[3.2.1]octan-2-yl]acetic acid
CID 68961064
2-[4-[2-(4-fluorophenyl)cyclohexyl]-2-pyridinyl]acetamide
CID 159775749
5-[(1R,2R)-2-ethylcyclohexyl]-2-fluorobenzoic acid
CID 135195682
2-[2-(4-fluorophenyl)piperidin-4-yl]acetic acid
CID 174645024

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-fluorophenyl)cyclohexyl]acetic acid?
The IUPAC name of 2-[2-(4-fluorophenyl)cyclohexyl]acetic acid (CID 82243391) is 2-[2-(4-fluorophenyl)cyclohexyl]acetic acid.
What is the SMILES notation for 2-[2-(4-fluorophenyl)cyclohexyl]acetic acid?
The canonical SMILES for 2-[2-(4-fluorophenyl)cyclohexyl]acetic acid is O=C(O)CC1CCCCC1c1ccc(F)cc1.
What is the InChIKey of 2-[2-(4-fluorophenyl)cyclohexyl]acetic acid?
The InChIKey is ZTPGUVXIRVWFOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FO2/c15-12-7-5-10(6-8-12)13-4-2-1-3-11(13)9-14(16)17/h5-8,11,13H,1-4,9H2,(H,16,17).
What are the key properties of 2-[2-(4-fluorophenyl)cyclohexyl]acetic acid?
2-[2-(4-fluorophenyl)cyclohexyl]acetic acid has a molecular weight of 236.29 g/mol, XLogP of 3.57, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-fluorophenyl)cyclohexyl]acetic acid is sourced from PubChem (CID 82243391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).