(5-chlorothiophen-2-yl)-(6-fluoro-3-methyl-1-benzofuran-2-yl)methanamine

C14H11ClFNOS — CID 55147847

IUPAC(5-chlorothiophen-2-yl)-(6-fluoro-3-methyl-1-benzofuran-2-yl)methanamine
SMILESCc1c(C(N)c2ccc(Cl)s2)oc2cc(F)ccc12
InChIInChI=1S/C14H11ClFNOS/c1-7-9-3-2-8(16)6-10(9)18-14(7)13(17)11-4-5-12(15)19-11/h2-6,13H,17H2,1H3
InChIKeyYGVVAMWLQRDLCH-UHFFFAOYSA-N
MW295.77 g/mol
LogP4.64
Rot. Bonds2

About (5-chlorothiophen-2-yl)-(6-fluoro-3-methyl-1-benzofuran-2-yl)methanamine

(5-chlorothiophen-2-yl)-(6-fluoro-3-methyl-1-benzofuran-2-yl)methanamine (PubChem CID 55147847) has the molecular formula C14H11ClFNOS and a molecular weight of 295.77 g/mol. Its IUPAC name is (5-chlorothiophen-2-yl)-(6-fluoro-3-methyl-1-benzofuran-2-yl)methanamine.

Molecular Properties

Compound Name(5-chlorothiophen-2-yl)-(6-fluoro-3-methyl-1-benzofuran-2-yl)methanamine
PubChem CID55147847
Molecular FormulaC14H11ClFNOS
Molecular Weight295.77 g/mol
Exact Mass295.02
IUPAC Name(5-chlorothiophen-2-yl)-(6-fluoro-3-methyl-1-benzofuran-2-yl)methanamine
SMILESCc1c(C(N)c2ccc(Cl)s2)oc2cc(F)ccc12
InChIInChI=1S/C14H11ClFNOS/c1-7-9-3-2-8(16)6-10(9)18-14(7)13(17)11-4-5-12(15)19-11/h2-6,13H,17H2,1H3
InChIKeyYGVVAMWLQRDLCH-UHFFFAOYSA-N
XLogP4.64
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.77
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5-chlorothiophen-2-yl)-(6-fluoro-3-methyl-1-benzofuran-2-yl)methanamine?
The IUPAC name of (5-chlorothiophen-2-yl)-(6-fluoro-3-methyl-1-benzofuran-2-yl)methanamine (CID 55147847) is (5-chlorothiophen-2-yl)-(6-fluoro-3-methyl-1-benzofuran-2-yl)methanamine.
What is the SMILES notation for (5-chlorothiophen-2-yl)-(6-fluoro-3-methyl-1-benzofuran-2-yl)methanamine?
The canonical SMILES for (5-chlorothiophen-2-yl)-(6-fluoro-3-methyl-1-benzofuran-2-yl)methanamine is Cc1c(C(N)c2ccc(Cl)s2)oc2cc(F)ccc12.
What is the InChIKey of (5-chlorothiophen-2-yl)-(6-fluoro-3-methyl-1-benzofuran-2-yl)methanamine?
The InChIKey is YGVVAMWLQRDLCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClFNOS/c1-7-9-3-2-8(16)6-10(9)18-14(7)13(17)11-4-5-12(15)19-11/h2-6,13H,17H2,1H3.
What are the key properties of (5-chlorothiophen-2-yl)-(6-fluoro-3-methyl-1-benzofuran-2-yl)methanamine?
(5-chlorothiophen-2-yl)-(6-fluoro-3-methyl-1-benzofuran-2-yl)methanamine has a molecular weight of 295.77 g/mol, XLogP of 4.64, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chlorothiophen-2-yl)-(6-fluoro-3-methyl-1-benzofuran-2-yl)methanamine is sourced from PubChem (CID 55147847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).