2-[2-(2-fluorophenyl)cycloheptyl]acetic acid

C15H19FO2 — CID 82244846

IUPAC2-[2-(2-fluorophenyl)cycloheptyl]acetic acid
SMILESO=C(O)CC1CCCCCC1c1ccccc1F
InChIInChI=1S/C15H19FO2/c16-14-9-5-4-8-13(14)12-7-3-1-2-6-11(12)10-15(17)18/h4-5,8-9,11-12H,1-3,6-7,10H2,(H,17,18)
InChIKeyCYTCWIPTENAMBV-UHFFFAOYSA-N
MW250.31 g/mol
LogP3.96
Rot. Bonds3

About 2-[2-(2-fluorophenyl)cycloheptyl]acetic acid

2-[2-(2-fluorophenyl)cycloheptyl]acetic acid (PubChem CID 82244846) has the molecular formula C15H19FO2 and a molecular weight of 250.31 g/mol. Its IUPAC name is 2-[2-(2-fluorophenyl)cycloheptyl]acetic acid.

Molecular Properties

Compound Name2-[2-(2-fluorophenyl)cycloheptyl]acetic acid
PubChem CID82244846
Molecular FormulaC15H19FO2
Molecular Weight250.31 g/mol
Exact Mass250.14
IUPAC Name2-[2-(2-fluorophenyl)cycloheptyl]acetic acid
SMILESO=C(O)CC1CCCCCC1c1ccccc1F
InChIInChI=1S/C15H19FO2/c16-14-9-5-4-8-13(14)12-7-3-1-2-6-11(12)10-15(17)18/h4-5,8-9,11-12H,1-3,6-7,10H2,(H,17,18)
InChIKeyCYTCWIPTENAMBV-UHFFFAOYSA-N
XLogP3.96
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.31
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[2-(2-methoxyphenyl)cyclohexyl]acetic acid
CID 66651942
1-fluoro-2-[2-(2-fluorophenyl)cyclohexyl]benzene
CID 91409982
2-[3-[bis(cyclohexylmethyl)amino]-2-(2-fluorophenyl)cyclohexyl]acetic acid
CID 67129722
2-[2-(4-fluorophenyl)cyclohexyl]acetic acid
CID 82243391
1-[2-(2-fluorophenyl)cyclohexyl]-N-methylmethanamine
CID 81027217
2-[2-(2,5-dichlorophenyl)cyclohexyl]acetic acid
CID 82250027
1-[2-(2-fluorophenyl)cyclopentyl]-N-methylmethanamine
CID 81033471
2-(2-fluorophenyl)cyclopentan-1-ol
CID 62596714
2-[2-(4-bromophenyl)cyclohexyl]acetic acid
CID 82251834
methyl 2-(2-fluorophenyl)cyclohexane-1-carboxylate
CID 82243393
2-(2-fluorophenyl)cyclopentan-1-amine
CID 62605662
1-[2-(2-fluorophenyl)cyclopropyl]-3-[2-(hydroxymethyl)cyclohexyl]urea
CID 111630928

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-fluorophenyl)cycloheptyl]acetic acid?
The IUPAC name of 2-[2-(2-fluorophenyl)cycloheptyl]acetic acid (CID 82244846) is 2-[2-(2-fluorophenyl)cycloheptyl]acetic acid.
What is the SMILES notation for 2-[2-(2-fluorophenyl)cycloheptyl]acetic acid?
The canonical SMILES for 2-[2-(2-fluorophenyl)cycloheptyl]acetic acid is O=C(O)CC1CCCCCC1c1ccccc1F.
What is the InChIKey of 2-[2-(2-fluorophenyl)cycloheptyl]acetic acid?
The InChIKey is CYTCWIPTENAMBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FO2/c16-14-9-5-4-8-13(14)12-7-3-1-2-6-11(12)10-15(17)18/h4-5,8-9,11-12H,1-3,6-7,10H2,(H,17,18).
What are the key properties of 2-[2-(2-fluorophenyl)cycloheptyl]acetic acid?
2-[2-(2-fluorophenyl)cycloheptyl]acetic acid has a molecular weight of 250.31 g/mol, XLogP of 3.96, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-fluorophenyl)cycloheptyl]acetic acid is sourced from PubChem (CID 82244846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).