(4-chlorophenyl)-(7-fluoro-1-benzofuran-2-yl)methanamine

C15H11ClFNO — CID 112614586

IUPAC(4-chlorophenyl)-(7-fluoro-1-benzofuran-2-yl)methanamine
SMILESNC(c1ccc(Cl)cc1)c1cc2cccc(F)c2o1
InChIInChI=1S/C15H11ClFNO/c16-11-6-4-9(5-7-11)14(18)13-8-10-2-1-3-12(17)15(10)19-13/h1-8,14H,18H2
InChIKeyCKTTWECPIDSATG-UHFFFAOYSA-N
MW275.71 g/mol
LogP4.27
Rot. Bonds2

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

(4-chlorophenyl)-(7-fluoro-1-benzofuran-2-yl)methanamine (PubChem CID 112614586) has the molecular formula C15H11ClFNO and a molecular weight of 275.71 g/mol. Its IUPAC name is (4-chlorophenyl)-(7-fluoro-1-benzofuran-2-yl)methanamine.

Molecular Properties

Compound Name(4-chlorophenyl)-(7-fluoro-1-benzofuran-2-yl)methanamine
PubChem CID112614586
Molecular FormulaC15H11ClFNO
Molecular Weight275.71 g/mol
Exact Mass275.05
IUPAC Name(4-chlorophenyl)-(7-fluoro-1-benzofuran-2-yl)methanamine
SMILESNC(c1ccc(Cl)cc1)c1cc2cccc(F)c2o1
InChIInChI=1S/C15H11ClFNO/c16-11-6-4-9(5-7-11)14(18)13-8-10-2-1-3-12(17)15(10)19-13/h1-8,14H,18H2
InChIKeyCKTTWECPIDSATG-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

(7-fluoro-1-benzofuran-2-yl)-(4-fluorophenyl)methanamine
CID 112614615
(7-fluoro-1-benzofuran-2-yl)-(3-iodophenyl)methanamine
CID 105047405
(4-bromo-3,5-dimethylphenyl)-(7-fluoro-1-benzofuran-2-yl)methanamine
CID 114731507
(2-chloro-4-fluorophenyl)-(7-fluoro-1-benzofuran-2-yl)methanamine
CID 115957488
1-benzofuran-2-yl-(4-chlorophenyl)methanamine
CID 13048639
(7-fluoro-1-benzofuran-2-yl)-(3-methoxy-4-methylphenyl)methanamine
CID 105047479
(2-chloro-4-methylphenyl)-(7-fluoro-1-benzofuran-2-yl)methanamine
CID 106858732
[(3,5-dichlorophenyl)-(7-fluoro-1-benzofuran-2-yl)methyl]hydrazine
CID 105339255
(4-chlorophenyl)-(5-fluoro-1-benzofuran-2-yl)methanamine
CID 114727555
(7-chloro-1-benzofuran-2-yl)-(4-chloro-2-fluorophenyl)methanamine
CID 114728541
(2,3-dimethylphenyl)-(7-fluoro-1-benzofuran-2-yl)methanamine
CID 105047575
(1-ethylpyrazol-4-yl)-(7-fluoro-1-benzofuran-2-yl)methanamine
CID 112614611

Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)-(7-fluoro-1-benzofuran-2-yl)methanamine?
The IUPAC name of (4-chlorophenyl)-(7-fluoro-1-benzofuran-2-yl)methanamine (CID 112614586) is (4-chlorophenyl)-(7-fluoro-1-benzofuran-2-yl)methanamine.
What is the SMILES notation for (4-chlorophenyl)-(7-fluoro-1-benzofuran-2-yl)methanamine?
The canonical SMILES for (4-chlorophenyl)-(7-fluoro-1-benzofuran-2-yl)methanamine is NC(c1ccc(Cl)cc1)c1cc2cccc(F)c2o1.
What is the InChIKey of (4-chlorophenyl)-(7-fluoro-1-benzofuran-2-yl)methanamine?
The InChIKey is CKTTWECPIDSATG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClFNO/c16-11-6-4-9(5-7-11)14(18)13-8-10-2-1-3-12(17)15(10)19-13/h1-8,14H,18H2.
What are the key properties of (4-chlorophenyl)-(7-fluoro-1-benzofuran-2-yl)methanamine?
(4-chlorophenyl)-(7-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)-(7-fluoro-1-benzofuran-2-yl)methanamine is sourced from PubChem (CID 112614586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).