[4-(2,6-difluoro-3-methylphenyl)thiophen-2-yl]methanamine

C12H11F2NS — CID 82822321

IUPAC[4-(2,6-difluoro-3-methylphenyl)thiophen-2-yl]methanamine
SMILESCc1ccc(F)c(-c2csc(CN)c2)c1F
InChIInChI=1S/C12H11F2NS/c1-7-2-3-10(13)11(12(7)14)8-4-9(5-15)16-6-8/h2-4,6H,5,15H2,1H3
InChIKeyDXVASSWVJSWETP-UHFFFAOYSA-N
MW239.29 g/mol
LogP3.46
Rot. Bonds2

About [4-(2,6-difluoro-3-methylphenyl)thiophen-2-yl]methanamine

[4-(2,6-difluoro-3-methylphenyl)thiophen-2-yl]methanamine (PubChem CID 82822321) has the molecular formula C12H11F2NS and a molecular weight of 239.29 g/mol. Its IUPAC name is [4-(2,6-difluoro-3-methylphenyl)thiophen-2-yl]methanamine.

Molecular Properties

Compound Name[4-(2,6-difluoro-3-methylphenyl)thiophen-2-yl]methanamine
PubChem CID82822321
Molecular FormulaC12H11F2NS
Molecular Weight239.29 g/mol
Exact Mass239.06
IUPAC Name[4-(2,6-difluoro-3-methylphenyl)thiophen-2-yl]methanamine
SMILESCc1ccc(F)c(-c2csc(CN)c2)c1F
InChIInChI=1S/C12H11F2NS/c1-7-2-3-10(13)11(12(7)14)8-4-9(5-15)16-6-8/h2-4,6H,5,15H2,1H3
InChIKeyDXVASSWVJSWETP-UHFFFAOYSA-N
XLogP3.46
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.29
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [4-(2,6-difluoro-3-methylphenyl)thiophen-2-yl]methanamine?
The IUPAC name of [4-(2,6-difluoro-3-methylphenyl)thiophen-2-yl]methanamine (CID 82822321) is [4-(2,6-difluoro-3-methylphenyl)thiophen-2-yl]methanamine.
What is the SMILES notation for [4-(2,6-difluoro-3-methylphenyl)thiophen-2-yl]methanamine?
The canonical SMILES for [4-(2,6-difluoro-3-methylphenyl)thiophen-2-yl]methanamine is Cc1ccc(F)c(-c2csc(CN)c2)c1F.
What is the InChIKey of [4-(2,6-difluoro-3-methylphenyl)thiophen-2-yl]methanamine?
The InChIKey is DXVASSWVJSWETP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F2NS/c1-7-2-3-10(13)11(12(7)14)8-4-9(5-15)16-6-8/h2-4,6H,5,15H2,1H3.
What are the key properties of [4-(2,6-difluoro-3-methylphenyl)thiophen-2-yl]methanamine?
[4-(2,6-difluoro-3-methylphenyl)thiophen-2-yl]methanamine has a molecular weight of 239.29 g/mol, XLogP of 3.46, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2,6-difluoro-3-methylphenyl)thiophen-2-yl]methanamine is sourced from PubChem (CID 82822321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).