2-(7-fluoro-1-benzofuran-2-yl)cycloheptane-1-carboxylic acid

C16H17FO3 — CID 114735394

IUPAC2-(7-fluoro-1-benzofuran-2-yl)cycloheptane-1-carboxylic acid
SMILESO=C(O)C1CCCCCC1c1cc2cccc(F)c2o1
InChIInChI=1S/C16H17FO3/c17-13-8-4-5-10-9-14(20-15(10)13)11-6-2-1-3-7-12(11)16(18)19/h4-5,8-9,11-12H,1-3,6-7H2,(H,18,19)
InChIKeyXMKQXEJQSRLPRR-UHFFFAOYSA-N
MW276.31 g/mol
LogP4.32
Rot. Bonds2

About 2-(7-fluoro-1-benzofuran-2-yl)cycloheptane-1-carboxylic acid

2-(7-fluoro-1-benzofuran-2-yl)cycloheptane-1-carboxylic acid (PubChem CID 114735394) has the molecular formula C16H17FO3 and a molecular weight of 276.31 g/mol. Its IUPAC name is 2-(7-fluoro-1-benzofuran-2-yl)cycloheptane-1-carboxylic acid.

Molecular Properties

Compound Name2-(7-fluoro-1-benzofuran-2-yl)cycloheptane-1-carboxylic acid
PubChem CID114735394
Molecular FormulaC16H17FO3
Molecular Weight276.31 g/mol
Exact Mass276.12
IUPAC Name2-(7-fluoro-1-benzofuran-2-yl)cycloheptane-1-carboxylic acid
SMILESO=C(O)C1CCCCCC1c1cc2cccc(F)c2o1
InChIInChI=1S/C16H17FO3/c17-13-8-4-5-10-9-14(20-15(10)13)11-6-2-1-3-7-12(11)16(18)19/h4-5,8-9,11-12H,1-3,6-7H2,(H,18,19)
InChIKeyXMKQXEJQSRLPRR-UHFFFAOYSA-N
XLogP4.32
TPSA50.44 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.31
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(7-fluoro-1-benzofuran-2-yl)cycloheptane-1-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2,6-difluorophenyl)cyclopentane-1-carboxylic acid
CID 81008993
2-cycloheptyl-1-(7-fluoro-1-benzofuran-2-yl)ethanone
CID 115809805
3-(7-fluoro-1-benzofuran-2-yl)cyclopentan-1-one
CID 114733135
2-(5-bromo-2-fluorophenyl)cycloheptane-1-carboxylic acid
CID 81008326
7-fluoro-1-benzofuran-2-carboxylic acid
CID 22244304
1-[2-(7-fluoro-1-benzofuran-2-yl)-4-methylcyclohexyl]-N-methylmethanamine
CID 114735841
anthracene;cyclohexane-1,2-dicarboxylic acid
CID 160819171
3-(7-fluoro-1-benzofuran-2-yl)cyclopentan-1-amine
CID 114733255
N-[[2-(7-fluoro-1-benzofuran-2-yl)cyclobutyl]methyl]-2-methylpropan-1-amine
CID 114735682
2-(2,6-difluoro-3-methylphenyl)cycloheptane-1-carboxylic acid
CID 82828421
2-(5-bromo-2-fluorophenyl)cyclopentane-1-carboxylic acid
CID 81007752
[4-ethyl-2-(7-fluoro-1-benzofuran-2-yl)cyclohexyl]methanamine
CID 114735537

Frequently Asked Questions

What is the IUPAC name of 2-(7-fluoro-1-benzofuran-2-yl)cycloheptane-1-carboxylic acid?
The IUPAC name of 2-(7-fluoro-1-benzofuran-2-yl)cycloheptane-1-carboxylic acid (CID 114735394) is 2-(7-fluoro-1-benzofuran-2-yl)cycloheptane-1-carboxylic acid.
What is the SMILES notation for 2-(7-fluoro-1-benzofuran-2-yl)cycloheptane-1-carboxylic acid?
The canonical SMILES for 2-(7-fluoro-1-benzofuran-2-yl)cycloheptane-1-carboxylic acid is O=C(O)C1CCCCCC1c1cc2cccc(F)c2o1.
What is the InChIKey of 2-(7-fluoro-1-benzofuran-2-yl)cycloheptane-1-carboxylic acid?
The InChIKey is XMKQXEJQSRLPRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FO3/c17-13-8-4-5-10-9-14(20-15(10)13)11-6-2-1-3-7-12(11)16(18)19/h4-5,8-9,11-12H,1-3,6-7H2,(H,18,19).
What are the key properties of 2-(7-fluoro-1-benzofuran-2-yl)cycloheptane-1-carboxylic acid?
2-(7-fluoro-1-benzofuran-2-yl)cycloheptane-1-carboxylic acid has a molecular weight of 276.31 g/mol, XLogP of 4.32, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-fluoro-1-benzofuran-2-yl)cycloheptane-1-carboxylic acid is sourced from PubChem (CID 114735394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).