[7-chloro-5-fluoro-3-(2-methylpropyl)-1-benzofuran-2-yl]methanamine

C13H15ClFNO — CID 62381235

IUPAC[7-chloro-5-fluoro-3-(2-methylpropyl)-1-benzofuran-2-yl]methanamine
SMILESCC(C)Cc1c(CN)oc2c(Cl)cc(F)cc12
InChIInChI=1S/C13H15ClFNO/c1-7(2)3-9-10-4-8(15)5-11(14)13(10)17-12(9)6-16/h4-5,7H,3,6,16H2,1-2H3
InChIKeyFLPNODNXHYVXLG-UHFFFAOYSA-N
MW255.72 g/mol
LogP3.88
Rot. Bonds3

About [7-chloro-5-fluoro-3-(2-methylpropyl)-1-benzofuran-2-yl]methanamine

[7-chloro-5-fluoro-3-(2-methylpropyl)-1-benzofuran-2-yl]methanamine (PubChem CID 62381235) has the molecular formula C13H15ClFNO and a molecular weight of 255.72 g/mol. Its IUPAC name is [7-chloro-5-fluoro-3-(2-methylpropyl)-1-benzofuran-2-yl]methanamine.

Molecular Properties

Compound Name[7-chloro-5-fluoro-3-(2-methylpropyl)-1-benzofuran-2-yl]methanamine
PubChem CID62381235
Molecular FormulaC13H15ClFNO
Molecular Weight255.72 g/mol
Exact Mass255.08
IUPAC Name[7-chloro-5-fluoro-3-(2-methylpropyl)-1-benzofuran-2-yl]methanamine
SMILESCC(C)Cc1c(CN)oc2c(Cl)cc(F)cc12
InChIInChI=1S/C13H15ClFNO/c1-7(2)3-9-10-4-8(15)5-11(14)13(10)17-12(9)6-16/h4-5,7H,3,6,16H2,1-2H3
InChIKeyFLPNODNXHYVXLG-UHFFFAOYSA-N
XLogP3.88
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.72
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [7-chloro-5-fluoro-3-(2-methylpropyl)-1-benzofuran-2-yl]methanamine?
The IUPAC name of [7-chloro-5-fluoro-3-(2-methylpropyl)-1-benzofuran-2-yl]methanamine (CID 62381235) is [7-chloro-5-fluoro-3-(2-methylpropyl)-1-benzofuran-2-yl]methanamine.
What is the SMILES notation for [7-chloro-5-fluoro-3-(2-methylpropyl)-1-benzofuran-2-yl]methanamine?
The canonical SMILES for [7-chloro-5-fluoro-3-(2-methylpropyl)-1-benzofuran-2-yl]methanamine is CC(C)Cc1c(CN)oc2c(Cl)cc(F)cc12.
What is the InChIKey of [7-chloro-5-fluoro-3-(2-methylpropyl)-1-benzofuran-2-yl]methanamine?
The InChIKey is FLPNODNXHYVXLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClFNO/c1-7(2)3-9-10-4-8(15)5-11(14)13(10)17-12(9)6-16/h4-5,7H,3,6,16H2,1-2H3.
What are the key properties of [7-chloro-5-fluoro-3-(2-methylpropyl)-1-benzofuran-2-yl]methanamine?
[7-chloro-5-fluoro-3-(2-methylpropyl)-1-benzofuran-2-yl]methanamine has a molecular weight of 255.72 g/mol, XLogP of 3.88, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [7-chloro-5-fluoro-3-(2-methylpropyl)-1-benzofuran-2-yl]methanamine is sourced from PubChem (CID 62381235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).