1-[3-(2-fluoroethyl)phenyl]cyclohexane-1-carboxylic acid

C15H19FO2 — CID 117379310

IUPAC1-[3-(2-fluoroethyl)phenyl]cyclohexane-1-carboxylic acid
SMILESO=C(O)C1(c2cccc(CCF)c2)CCCCC1
InChIInChI=1S/C15H19FO2/c16-10-7-12-5-4-6-13(11-12)15(14(17)18)8-2-1-3-9-15/h4-6,11H,1-3,7-10H2,(H,17,18)
InChIKeyYJYGOJVERHYEOK-UHFFFAOYSA-N
MW250.31 g/mol
LogP3.49
Rot. Bonds4

About 1-[3-(2-fluoroethyl)phenyl]cyclohexane-1-carboxylic acid

1-[3-(2-fluoroethyl)phenyl]cyclohexane-1-carboxylic acid (PubChem CID 117379310) has the molecular formula C15H19FO2 and a molecular weight of 250.31 g/mol. Its IUPAC name is 1-[3-(2-fluoroethyl)phenyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-[3-(2-fluoroethyl)phenyl]cyclohexane-1-carboxylic acid
PubChem CID117379310
Molecular FormulaC15H19FO2
Molecular Weight250.31 g/mol
Exact Mass250.14
IUPAC Name1-[3-(2-fluoroethyl)phenyl]cyclohexane-1-carboxylic acid
SMILESO=C(O)C1(c2cccc(CCF)c2)CCCCC1
InChIInChI=1S/C15H19FO2/c16-10-7-12-5-4-6-13(11-12)15(14(17)18)8-2-1-3-9-15/h4-6,11H,1-3,7-10H2,(H,17,18)
InChIKeyYJYGOJVERHYEOK-UHFFFAOYSA-N
XLogP3.49
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.31
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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1-(2-fluoroethyl)-3-(1-isocyanatocyclobutyl)benzene
CID 117312330
1-[3-(methanesulfonamido)phenyl]cyclopentane-1-carboxylic acid
CID 117455529
1-[3-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]cyclohexane-1-carboxylic acid
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1-(3,4-diethylphenyl)cyclohexane-1-carboxylic acid
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Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-fluoroethyl)phenyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 1-[3-(2-fluoroethyl)phenyl]cyclohexane-1-carboxylic acid (CID 117379310) is 1-[3-(2-fluoroethyl)phenyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-[3-(2-fluoroethyl)phenyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 1-[3-(2-fluoroethyl)phenyl]cyclohexane-1-carboxylic acid is O=C(O)C1(c2cccc(CCF)c2)CCCCC1.
What is the InChIKey of 1-[3-(2-fluoroethyl)phenyl]cyclohexane-1-carboxylic acid?
The InChIKey is YJYGOJVERHYEOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FO2/c16-10-7-12-5-4-6-13(11-12)15(14(17)18)8-2-1-3-9-15/h4-6,11H,1-3,7-10H2,(H,17,18).
What are the key properties of 1-[3-(2-fluoroethyl)phenyl]cyclohexane-1-carboxylic acid?
1-[3-(2-fluoroethyl)phenyl]cyclohexane-1-carboxylic acid has a molecular weight of 250.31 g/mol, XLogP of 3.49, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-fluoroethyl)phenyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 117379310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).