(4-chlorophenyl)-(5-fluoro-1-benzofuran-2-yl)methanamine

C15H11ClFNO — CID 114727555

IUPAC(4-chlorophenyl)-(5-fluoro-1-benzofuran-2-yl)methanamine
SMILESNC(c1ccc(Cl)cc1)c1cc2cc(F)ccc2o1
InChIInChI=1S/C15H11ClFNO/c16-11-3-1-9(2-4-11)15(18)14-8-10-7-12(17)5-6-13(10)19-14/h1-8,15H,18H2
InChIKeyQHHZAHKETQRCSD-UHFFFAOYSA-N
MW275.71 g/mol
LogP4.27
Rot. Bonds2

About (4-chlorophenyl)-(5-fluoro-1-benzofuran-2-yl)methanamine

(4-chlorophenyl)-(5-fluoro-1-benzofuran-2-yl)methanamine (PubChem CID 114727555) has the molecular formula C15H11ClFNO and a molecular weight of 275.71 g/mol. Its IUPAC name is (4-chlorophenyl)-(5-fluoro-1-benzofuran-2-yl)methanamine.

Molecular Properties

Compound Name(4-chlorophenyl)-(5-fluoro-1-benzofuran-2-yl)methanamine
PubChem CID114727555
Molecular FormulaC15H11ClFNO
Molecular Weight275.71 g/mol
Exact Mass275.05
IUPAC Name(4-chlorophenyl)-(5-fluoro-1-benzofuran-2-yl)methanamine
SMILESNC(c1ccc(Cl)cc1)c1cc2cc(F)ccc2o1
InChIInChI=1S/C15H11ClFNO/c16-11-3-1-9(2-4-11)15(18)14-8-10-7-12(17)5-6-13(10)19-14/h1-8,15H,18H2
InChIKeyQHHZAHKETQRCSD-UHFFFAOYSA-N
XLogP4.27
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.71
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3-chloro-4-fluorophenyl)-(5-fluoro-1-benzofuran-2-yl)methanamine
CID 114728550
(5-bromo-1-benzofuran-2-yl)-(4-chlorophenyl)methanamine
CID 43149597
1-benzofuran-2-yl-(4-chlorophenyl)methanamine
CID 13048639
(5-fluoro-1-benzofuran-2-yl)-(4-fluoro-3-methoxyphenyl)methanamine
CID 105046046
(5-chloro-2-methylphenyl)-(5-fluoro-1-benzofuran-2-yl)methanamine
CID 105046147
(4-chlorophenyl)-(5-ethyl-1-benzofuran-2-yl)methanamine
CID 43826510
(4-chlorophenyl)-(5-methoxy-1-benzofuran-2-yl)methanamine
CID 43826525
(5-fluoro-1-benzofuran-2-yl)-(3-fluoro-4-methoxyphenyl)methanamine
CID 105046236
1,3-benzodioxol-5-yl-(5-fluoro-1-benzofuran-2-yl)methanamine
CID 107699812
(3-bromophenyl)-(5-fluoro-1-benzofuran-2-yl)methanamine
CID 114727611
[(4-chloro-3-fluorophenyl)-(5-fluoro-1-benzofuran-2-yl)methyl]hydrazine
CID 107997332
(4-chlorophenyl)-(7-fluoro-1-benzofuran-2-yl)methanamine
CID 112614586

Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)-(5-fluoro-1-benzofuran-2-yl)methanamine?
The IUPAC name of (4-chlorophenyl)-(5-fluoro-1-benzofuran-2-yl)methanamine (CID 114727555) is (4-chlorophenyl)-(5-fluoro-1-benzofuran-2-yl)methanamine.
What is the SMILES notation for (4-chlorophenyl)-(5-fluoro-1-benzofuran-2-yl)methanamine?
The canonical SMILES for (4-chlorophenyl)-(5-fluoro-1-benzofuran-2-yl)methanamine is NC(c1ccc(Cl)cc1)c1cc2cc(F)ccc2o1.
What is the InChIKey of (4-chlorophenyl)-(5-fluoro-1-benzofuran-2-yl)methanamine?
The InChIKey is QHHZAHKETQRCSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClFNO/c16-11-3-1-9(2-4-11)15(18)14-8-10-7-12(17)5-6-13(10)19-14/h1-8,15H,18H2.
What are the key properties of (4-chlorophenyl)-(5-fluoro-1-benzofuran-2-yl)methanamine?
(4-chlorophenyl)-(5-fluoro-1-benzofuran-2-yl)methanamine has a molecular weight of 275.71 g/mol, XLogP of 4.27, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)-(5-fluoro-1-benzofuran-2-yl)methanamine is sourced from PubChem (CID 114727555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).