(6-fluoro-3-methyl-1-benzofuran-2-yl)-thiophen-3-ylmethanamine

C14H12FNOS — CID 63068377

IUPAC(6-fluoro-3-methyl-1-benzofuran-2-yl)-thiophen-3-ylmethanamine
SMILESCc1c(C(N)c2ccsc2)oc2cc(F)ccc12
InChIInChI=1S/C14H12FNOS/c1-8-11-3-2-10(15)6-12(11)17-14(8)13(16)9-4-5-18-7-9/h2-7,13H,16H2,1H3
InChIKeyWGVHGOBWPOJNMT-UHFFFAOYSA-N
MW261.32 g/mol
LogP3.99
Rot. Bonds2

About (6-fluoro-3-methyl-1-benzofuran-2-yl)-thiophen-3-ylmethanamine

(6-fluoro-3-methyl-1-benzofuran-2-yl)-thiophen-3-ylmethanamine (PubChem CID 63068377) has the molecular formula C14H12FNOS and a molecular weight of 261.32 g/mol. Its IUPAC name is (6-fluoro-3-methyl-1-benzofuran-2-yl)-thiophen-3-ylmethanamine.

Molecular Properties

Compound Name(6-fluoro-3-methyl-1-benzofuran-2-yl)-thiophen-3-ylmethanamine
PubChem CID63068377
Molecular FormulaC14H12FNOS
Molecular Weight261.32 g/mol
Exact Mass261.06
IUPAC Name(6-fluoro-3-methyl-1-benzofuran-2-yl)-thiophen-3-ylmethanamine
SMILESCc1c(C(N)c2ccsc2)oc2cc(F)ccc12
InChIInChI=1S/C14H12FNOS/c1-8-11-3-2-10(15)6-12(11)17-14(8)13(16)9-4-5-18-7-9/h2-7,13H,16H2,1H3
InChIKeyWGVHGOBWPOJNMT-UHFFFAOYSA-N
XLogP3.99
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (6-fluoro-3-methyl-1-benzofuran-2-yl)-thiophen-3-ylmethanamine?
The IUPAC name of (6-fluoro-3-methyl-1-benzofuran-2-yl)-thiophen-3-ylmethanamine (CID 63068377) is (6-fluoro-3-methyl-1-benzofuran-2-yl)-thiophen-3-ylmethanamine.
What is the SMILES notation for (6-fluoro-3-methyl-1-benzofuran-2-yl)-thiophen-3-ylmethanamine?
The canonical SMILES for (6-fluoro-3-methyl-1-benzofuran-2-yl)-thiophen-3-ylmethanamine is Cc1c(C(N)c2ccsc2)oc2cc(F)ccc12.
What is the InChIKey of (6-fluoro-3-methyl-1-benzofuran-2-yl)-thiophen-3-ylmethanamine?
The InChIKey is WGVHGOBWPOJNMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FNOS/c1-8-11-3-2-10(15)6-12(11)17-14(8)13(16)9-4-5-18-7-9/h2-7,13H,16H2,1H3.
What are the key properties of (6-fluoro-3-methyl-1-benzofuran-2-yl)-thiophen-3-ylmethanamine?
(6-fluoro-3-methyl-1-benzofuran-2-yl)-thiophen-3-ylmethanamine has a molecular weight of 261.32 g/mol, XLogP of 3.99, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6-fluoro-3-methyl-1-benzofuran-2-yl)-thiophen-3-ylmethanamine is sourced from PubChem (CID 63068377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).