3-(7-fluoro-1-benzofuran-2-yl)cyclopentan-1-amine

C13H14FNO — CID 114733255

IUPAC3-(7-fluoro-1-benzofuran-2-yl)cyclopentan-1-amine
SMILESNC1CCC(c2cc3cccc(F)c3o2)C1
InChIInChI=1S/C13H14FNO/c14-11-3-1-2-9-7-12(16-13(9)11)8-4-5-10(15)6-8/h1-3,7-8,10H,4-6,15H2
InChIKeyXFYJLEDHXJILHS-UHFFFAOYSA-N
MW219.26 g/mol
LogP3.17
Rot. Bonds1

About 3-(7-fluoro-1-benzofuran-2-yl)cyclopentan-1-amine

3-(7-fluoro-1-benzofuran-2-yl)cyclopentan-1-amine (PubChem CID 114733255) has the molecular formula C13H14FNO and a molecular weight of 219.26 g/mol. Its IUPAC name is 3-(7-fluoro-1-benzofuran-2-yl)cyclopentan-1-amine.

Molecular Properties

Compound Name3-(7-fluoro-1-benzofuran-2-yl)cyclopentan-1-amine
PubChem CID114733255
Molecular FormulaC13H14FNO
Molecular Weight219.26 g/mol
Exact Mass219.11
IUPAC Name3-(7-fluoro-1-benzofuran-2-yl)cyclopentan-1-amine
SMILESNC1CCC(c2cc3cccc(F)c3o2)C1
InChIInChI=1S/C13H14FNO/c14-11-3-1-2-9-7-12(16-13(9)11)8-4-5-10(15)6-8/h1-3,7-8,10H,4-6,15H2
InChIKeyXFYJLEDHXJILHS-UHFFFAOYSA-N
XLogP3.17
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.26
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(1-benzofuran-2-yl)cyclopentan-1-amine
CID 112705606
3-(7-fluoro-1-benzofuran-2-yl)cyclopentan-1-one
CID 114733135
[4-ethyl-2-(7-fluoro-1-benzofuran-2-yl)cyclohexyl]methanamine
CID 114735537
2-cyclopropyl-6-(7-fluoro-1-benzofuran-2-yl)pyrimidin-4-amine
CID 114734909
3-(3-fluoro-2-methylphenyl)cyclopentan-1-amine
CID 130045679
1-[2-(7-fluoro-1-benzofuran-2-yl)-4-methylcyclohexyl]-N-methylmethanamine
CID 114735841
2-(7-fluoro-1-benzofuran-2-yl)cycloheptane-1-carboxylic acid
CID 114735394
2-cyclopropyl-1-(7-fluoro-1-benzofuran-2-yl)ethanol
CID 114727065
N-[[2-(7-fluoro-1-benzofuran-2-yl)cyclobutyl]methyl]-2-methylpropan-1-amine
CID 114735682
3-(4-fluoro-1H-benzimidazol-2-yl)cyclopentan-1-amine
CID 66030987
[cyclopentyl-(7-fluoro-1-benzofuran-2-yl)methyl]hydrazine
CID 105204500
[4-(aminomethyl)cyclohexyl]-(7-fluoro-1-benzofuran-2-yl)methanone
CID 114737005

Frequently Asked Questions

What is the IUPAC name of 3-(7-fluoro-1-benzofuran-2-yl)cyclopentan-1-amine?
The IUPAC name of 3-(7-fluoro-1-benzofuran-2-yl)cyclopentan-1-amine (CID 114733255) is 3-(7-fluoro-1-benzofuran-2-yl)cyclopentan-1-amine.
What is the SMILES notation for 3-(7-fluoro-1-benzofuran-2-yl)cyclopentan-1-amine?
The canonical SMILES for 3-(7-fluoro-1-benzofuran-2-yl)cyclopentan-1-amine is NC1CCC(c2cc3cccc(F)c3o2)C1.
What is the InChIKey of 3-(7-fluoro-1-benzofuran-2-yl)cyclopentan-1-amine?
The InChIKey is XFYJLEDHXJILHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FNO/c14-11-3-1-2-9-7-12(16-13(9)11)8-4-5-10(15)6-8/h1-3,7-8,10H,4-6,15H2.
What are the key properties of 3-(7-fluoro-1-benzofuran-2-yl)cyclopentan-1-amine?
3-(7-fluoro-1-benzofuran-2-yl)cyclopentan-1-amine has a molecular weight of 219.26 g/mol, XLogP of 3.17, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(7-fluoro-1-benzofuran-2-yl)cyclopentan-1-amine is sourced from PubChem (CID 114733255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).