(2-chloro-4-fluorophenyl)-(7-fluoro-1-benzofuran-2-yl)methanamine

C15H10ClF2NO — CID 115957488

IUPAC(2-chloro-4-fluorophenyl)-(7-fluoro-1-benzofuran-2-yl)methanamine
SMILESNC(c1cc2cccc(F)c2o1)c1ccc(F)cc1Cl
InChIInChI=1S/C15H10ClF2NO/c16-11-7-9(17)4-5-10(11)14(19)13-6-8-2-1-3-12(18)15(8)20-13/h1-7,14H,19H2
InChIKeyBPJVLIOOTYLFCQ-UHFFFAOYSA-N
MW293.70 g/mol
LogP4.41
Rot. Bonds2

About (2-chloro-4-fluorophenyl)-(7-fluoro-1-benzofuran-2-yl)methanamine

(2-chloro-4-fluorophenyl)-(7-fluoro-1-benzofuran-2-yl)methanamine (PubChem CID 115957488) has the molecular formula C15H10ClF2NO and a molecular weight of 293.70 g/mol. Its IUPAC name is (2-chloro-4-fluorophenyl)-(7-fluoro-1-benzofuran-2-yl)methanamine.

Molecular Properties

Compound Name(2-chloro-4-fluorophenyl)-(7-fluoro-1-benzofuran-2-yl)methanamine
PubChem CID115957488
Molecular FormulaC15H10ClF2NO
Molecular Weight293.70 g/mol
Exact Mass293.04
IUPAC Name(2-chloro-4-fluorophenyl)-(7-fluoro-1-benzofuran-2-yl)methanamine
SMILESNC(c1cc2cccc(F)c2o1)c1ccc(F)cc1Cl
InChIInChI=1S/C15H10ClF2NO/c16-11-7-9(17)4-5-10(11)14(19)13-6-8-2-1-3-12(18)15(8)20-13/h1-7,14H,19H2
InChIKeyBPJVLIOOTYLFCQ-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

(2-chloro-4-methylphenyl)-(7-fluoro-1-benzofuran-2-yl)methanamine
CID 106858732
(2-chloro-4-fluorophenyl)-(7-fluoro-1-benzofuran-2-yl)methanol
CID 114726486
(7-fluoro-1-benzofuran-2-yl)-(4-fluorophenyl)methanamine
CID 112614615
(4-chlorophenyl)-(7-fluoro-1-benzofuran-2-yl)methanamine
CID 112614586
(7-chloro-1-benzofuran-2-yl)-(4-chloro-2-fluorophenyl)methanamine
CID 114728541
(4-chloro-1-benzofuran-2-yl)-(2-chloro-4-fluorophenyl)methanamine
CID 114321348
(7-bromo-1-benzofuran-2-yl)-(4-bromo-2-chlorophenyl)methanamine
CID 82779597
(2,3-dimethylphenyl)-(7-fluoro-1-benzofuran-2-yl)methanamine
CID 105047575
2-(2,4-difluorophenyl)-1-(7-fluoro-1-benzofuran-2-yl)ethanamine
CID 114728807
(2-ethylphenyl)-(7-fluoro-1-benzofuran-2-yl)methanamine
CID 105047565
1-benzofuran-3-yl-(7-fluoro-1-benzofuran-2-yl)methanamine
CID 114730676
(7-bromo-1-benzofuran-2-yl)-(4-chloro-2-fluorophenyl)methanamine
CID 105173757

Frequently Asked Questions

What is the IUPAC name of (2-chloro-4-fluorophenyl)-(7-fluoro-1-benzofuran-2-yl)methanamine?
The IUPAC name of (2-chloro-4-fluorophenyl)-(7-fluoro-1-benzofuran-2-yl)methanamine (CID 115957488) is (2-chloro-4-fluorophenyl)-(7-fluoro-1-benzofuran-2-yl)methanamine.
What is the SMILES notation for (2-chloro-4-fluorophenyl)-(7-fluoro-1-benzofuran-2-yl)methanamine?
The canonical SMILES for (2-chloro-4-fluorophenyl)-(7-fluoro-1-benzofuran-2-yl)methanamine is NC(c1cc2cccc(F)c2o1)c1ccc(F)cc1Cl.
What is the InChIKey of (2-chloro-4-fluorophenyl)-(7-fluoro-1-benzofuran-2-yl)methanamine?
The InChIKey is BPJVLIOOTYLFCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClF2NO/c16-11-7-9(17)4-5-10(11)14(19)13-6-8-2-1-3-12(18)15(8)20-13/h1-7,14H,19H2.
What are the key properties of (2-chloro-4-fluorophenyl)-(7-fluoro-1-benzofuran-2-yl)methanamine?
(2-chloro-4-fluorophenyl)-(7-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 (2-chloro-4-fluorophenyl)-(7-fluoro-1-benzofuran-2-yl)methanamine is sourced from PubChem (CID 115957488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).