(3-chloro-4-fluorophenyl)-(5-fluoro-1-benzofuran-2-yl)methanamine

C15H10ClF2NO — CID 114728550

IUPAC(3-chloro-4-fluorophenyl)-(5-fluoro-1-benzofuran-2-yl)methanamine
SMILESNC(c1ccc(F)c(Cl)c1)c1cc2cc(F)ccc2o1
InChIInChI=1S/C15H10ClF2NO/c16-11-6-8(1-3-12(11)18)15(19)14-7-9-5-10(17)2-4-13(9)20-14/h1-7,15H,19H2
InChIKeyYPPZYHDUYGQWRP-UHFFFAOYSA-N
MW293.70 g/mol
LogP4.41
Rot. Bonds2

About (3-chloro-4-fluorophenyl)-(5-fluoro-1-benzofuran-2-yl)methanamine

(3-chloro-4-fluorophenyl)-(5-fluoro-1-benzofuran-2-yl)methanamine (PubChem CID 114728550) has the molecular formula C15H10ClF2NO and a molecular weight of 293.70 g/mol. Its IUPAC name is (3-chloro-4-fluorophenyl)-(5-fluoro-1-benzofuran-2-yl)methanamine.

Molecular Properties

Compound Name(3-chloro-4-fluorophenyl)-(5-fluoro-1-benzofuran-2-yl)methanamine
PubChem CID114728550
Molecular FormulaC15H10ClF2NO
Molecular Weight293.70 g/mol
Exact Mass293.04
IUPAC Name(3-chloro-4-fluorophenyl)-(5-fluoro-1-benzofuran-2-yl)methanamine
SMILESNC(c1ccc(F)c(Cl)c1)c1cc2cc(F)ccc2o1
InChIInChI=1S/C15H10ClF2NO/c16-11-6-8(1-3-12(11)18)15(19)14-7-9-5-10(17)2-4-13(9)20-14/h1-7,15H,19H2
InChIKeyYPPZYHDUYGQWRP-UHFFFAOYSA-N
XLogP4.41
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.70
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4-chlorophenyl)-(5-fluoro-1-benzofuran-2-yl)methanamine
CID 114727555
(5-fluoro-1-benzofuran-2-yl)-(4-fluoro-3-methoxyphenyl)methanamine
CID 105046046
(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
(5-chloro-2-methylphenyl)-(5-fluoro-1-benzofuran-2-yl)methanamine
CID 105046147
(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
1-(5-chloro-1-benzofuran-2-yl)-1-(3-chloro-4-fluorophenyl)-N-methylmethanamine
CID 114728551
(5-bromo-1-benzofuran-2-yl)-(4-chlorophenyl)methanamine
CID 43149597
1-benzofuran-2-yl-(4-chlorophenyl)methanamine
CID 13048639
[(3-bromo-4-chlorophenyl)-(5-fluoro-1-benzofuran-2-yl)methyl]hydrazine
CID 105261142
(4-chlorophenyl)-(5-methoxy-1-benzofuran-2-yl)methanamine
CID 43826525

Frequently Asked Questions

What is the IUPAC name of (3-chloro-4-fluorophenyl)-(5-fluoro-1-benzofuran-2-yl)methanamine?
The IUPAC name of (3-chloro-4-fluorophenyl)-(5-fluoro-1-benzofuran-2-yl)methanamine (CID 114728550) is (3-chloro-4-fluorophenyl)-(5-fluoro-1-benzofuran-2-yl)methanamine.
What is the SMILES notation for (3-chloro-4-fluorophenyl)-(5-fluoro-1-benzofuran-2-yl)methanamine?
The canonical SMILES for (3-chloro-4-fluorophenyl)-(5-fluoro-1-benzofuran-2-yl)methanamine is NC(c1ccc(F)c(Cl)c1)c1cc2cc(F)ccc2o1.
What is the InChIKey of (3-chloro-4-fluorophenyl)-(5-fluoro-1-benzofuran-2-yl)methanamine?
The InChIKey is YPPZYHDUYGQWRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClF2NO/c16-11-6-8(1-3-12(11)18)15(19)14-7-9-5-10(17)2-4-13(9)20-14/h1-7,15H,19H2.
What are the key properties of (3-chloro-4-fluorophenyl)-(5-fluoro-1-benzofuran-2-yl)methanamine?
(3-chloro-4-fluorophenyl)-(5-fluoro-1-benzofuran-2-yl)methanamine has a molecular weight of 293.70 g/mol, XLogP of 4.41, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-4-fluorophenyl)-(5-fluoro-1-benzofuran-2-yl)methanamine is sourced from PubChem (CID 114728550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).