1-(4,6-difluoro-1-benzofuran-2-yl)butan-1-amine

C12H13F2NO — CID 65440041

IUPAC1-(4,6-difluoro-1-benzofuran-2-yl)butan-1-amine
SMILESCCCC(N)c1cc2c(F)cc(F)cc2o1
InChIInChI=1S/C12H13F2NO/c1-2-3-10(15)12-6-8-9(14)4-7(13)5-11(8)16-12/h4-6,10H,2-3,15H2,1H3
InChIKeyIFQARYRMHSXWRZ-UHFFFAOYSA-N
MW225.24 g/mol
LogP3.51
Rot. Bonds3

About 1-(4,6-difluoro-1-benzofuran-2-yl)butan-1-amine

1-(4,6-difluoro-1-benzofuran-2-yl)butan-1-amine (PubChem CID 65440041) has the molecular formula C12H13F2NO and a molecular weight of 225.24 g/mol. Its IUPAC name is 1-(4,6-difluoro-1-benzofuran-2-yl)butan-1-amine.

Molecular Properties

Compound Name1-(4,6-difluoro-1-benzofuran-2-yl)butan-1-amine
PubChem CID65440041
Molecular FormulaC12H13F2NO
Molecular Weight225.24 g/mol
Exact Mass225.10
IUPAC Name1-(4,6-difluoro-1-benzofuran-2-yl)butan-1-amine
SMILESCCCC(N)c1cc2c(F)cc(F)cc2o1
InChIInChI=1S/C12H13F2NO/c1-2-3-10(15)12-6-8-9(14)4-7(13)5-11(8)16-12/h4-6,10H,2-3,15H2,1H3
InChIKeyIFQARYRMHSXWRZ-UHFFFAOYSA-N
XLogP3.51
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.24
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-bromo-6-fluoro-1-benzofuran-2-yl)butan-1-amine
CID 115410701
(1R)-1-(7-fluoro-1-benzofuran-2-yl)butan-1-amine
CID 165455144
1-(5-fluoro-1-benzofuran-2-yl)decan-1-amine
CID 105046157
1-(6-fluoro-1,3-benzoxazol-2-yl)butan-1-amine
CID 63675606
1-(4,6-difluoro-1-benzofuran-2-yl)-2-methylpropan-1-one
CID 65428233
[1-(5-fluoro-1-benzofuran-2-yl)-2-propylpentyl]hydrazine
CID 105338630
(1R)-1-(2,4,6-trifluorophenyl)propan-1-amine;hydrochloride
CID 171204882
(1S)-1-(4-bromo-3-fluorophenyl)butan-1-amine
CID 130730633
1-(4,6,7-trimethyl-1-benzofuran-2-yl)butan-1-amine
CID 65440386
(1S)-1-(3-fluorophenyl)butan-1-amine
CID 78961002
(1S)-1-(2,4,6-trifluorophenyl)hexan-1-amine;hydrochloride
CID 171224460
(1R)-1-[5-fluoro-2-(trifluoromethyl)phenyl]butan-1-amine
CID 79021281

Frequently Asked Questions

What is the IUPAC name of 1-(4,6-difluoro-1-benzofuran-2-yl)butan-1-amine?
The IUPAC name of 1-(4,6-difluoro-1-benzofuran-2-yl)butan-1-amine (CID 65440041) is 1-(4,6-difluoro-1-benzofuran-2-yl)butan-1-amine.
What is the SMILES notation for 1-(4,6-difluoro-1-benzofuran-2-yl)butan-1-amine?
The canonical SMILES for 1-(4,6-difluoro-1-benzofuran-2-yl)butan-1-amine is CCCC(N)c1cc2c(F)cc(F)cc2o1.
What is the InChIKey of 1-(4,6-difluoro-1-benzofuran-2-yl)butan-1-amine?
The InChIKey is IFQARYRMHSXWRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F2NO/c1-2-3-10(15)12-6-8-9(14)4-7(13)5-11(8)16-12/h4-6,10H,2-3,15H2,1H3.
What are the key properties of 1-(4,6-difluoro-1-benzofuran-2-yl)butan-1-amine?
1-(4,6-difluoro-1-benzofuran-2-yl)butan-1-amine has a molecular weight of 225.24 g/mol, XLogP of 3.51, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,6-difluoro-1-benzofuran-2-yl)butan-1-amine is sourced from PubChem (CID 65440041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).