2-(3-chloro-1-methylcyclopentyl)-7-fluoro-1-benzofuran

C14H14ClFO — CID 114734029

IUPAC2-(3-chloro-1-methylcyclopentyl)-7-fluoro-1-benzofuran
SMILESCC1(c2cc3cccc(F)c3o2)CCC(Cl)C1
InChIInChI=1S/C14H14ClFO/c1-14(6-5-10(15)8-14)12-7-9-3-2-4-11(16)13(9)17-12/h2-4,7,10H,5-6,8H2,1H3
InChIKeyYXIVYCKDWAAZRW-UHFFFAOYSA-N
MW252.72 g/mol
LogP4.62
Rot. Bonds1

About 2-(3-chloro-1-methylcyclopentyl)-7-fluoro-1-benzofuran

2-(3-chloro-1-methylcyclopentyl)-7-fluoro-1-benzofuran (PubChem CID 114734029) has the molecular formula C14H14ClFO and a molecular weight of 252.72 g/mol. Its IUPAC name is 2-(3-chloro-1-methylcyclopentyl)-7-fluoro-1-benzofuran.

Molecular Properties

Compound Name2-(3-chloro-1-methylcyclopentyl)-7-fluoro-1-benzofuran
PubChem CID114734029
Molecular FormulaC14H14ClFO
Molecular Weight252.72 g/mol
Exact Mass252.07
IUPAC Name2-(3-chloro-1-methylcyclopentyl)-7-fluoro-1-benzofuran
SMILESCC1(c2cc3cccc(F)c3o2)CCC(Cl)C1
InChIInChI=1S/C14H14ClFO/c1-14(6-5-10(15)8-14)12-7-9-3-2-4-11(16)13(9)17-12/h2-4,7,10H,5-6,8H2,1H3
InChIKeyYXIVYCKDWAAZRW-UHFFFAOYSA-N
XLogP4.62
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.72
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 2-(3-chloro-1-methylcyclopentyl)-7-fluoro-1-benzofuran 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-(3-chloro-1-methylcyclopentyl)-1-benzofuran
CID 114734023
3-(7-chloro-1-benzofuran-2-yl)-3-methylcyclopentan-1-amine
CID 114733656
3-ethyl-1-(7-fluoro-1-benzofuran-2-yl)cyclopentan-1-ol
CID 114723863
2-(7-fluoro-1-benzofuran-2-yl)-1,3,3-trimethylbicyclo[2.2.1]heptan-2-ol
CID 114724478
1-(7-fluoro-1-benzofuran-2-yl)-3-(trifluoromethyl)cyclohexan-1-ol
CID 114723916
3-(7-chloro-1-benzofuran-2-yl)-N-ethyl-3-methylcyclopentan-1-amine
CID 114733667
4-(7-fluoro-1-benzofuran-2-yl)-2-propyloxan-4-ol
CID 114723797
4-bromo-2-(3-chloro-1-methylcyclopentyl)-1-fluorobenzene
CID 116540408
8-(7-fluoro-1-benzofuran-2-yl)-1,4-dioxaspiro[4.5]decan-8-ol
CID 114724054
(2,2-dimethylcyclohexyl)-(7-fluoro-1-benzofuran-2-yl)methanol
CID 107192972
(2,2-dimethylcyclopentyl)-(7-fluoro-1-benzofuran-2-yl)methanone
CID 107187565
(4,4-difluorocyclohexyl)-(7-fluoro-1-benzofuran-2-yl)methanone
CID 105132886

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-1-methylcyclopentyl)-7-fluoro-1-benzofuran?
The IUPAC name of 2-(3-chloro-1-methylcyclopentyl)-7-fluoro-1-benzofuran (CID 114734029) is 2-(3-chloro-1-methylcyclopentyl)-7-fluoro-1-benzofuran.
What is the SMILES notation for 2-(3-chloro-1-methylcyclopentyl)-7-fluoro-1-benzofuran?
The canonical SMILES for 2-(3-chloro-1-methylcyclopentyl)-7-fluoro-1-benzofuran is CC1(c2cc3cccc(F)c3o2)CCC(Cl)C1.
What is the InChIKey of 2-(3-chloro-1-methylcyclopentyl)-7-fluoro-1-benzofuran?
The InChIKey is YXIVYCKDWAAZRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClFO/c1-14(6-5-10(15)8-14)12-7-9-3-2-4-11(16)13(9)17-12/h2-4,7,10H,5-6,8H2,1H3.
What are the key properties of 2-(3-chloro-1-methylcyclopentyl)-7-fluoro-1-benzofuran?
2-(3-chloro-1-methylcyclopentyl)-7-fluoro-1-benzofuran has a molecular weight of 252.72 g/mol, XLogP of 4.62, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-1-methylcyclopentyl)-7-fluoro-1-benzofuran is sourced from PubChem (CID 114734029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).