(R)-(2,3-difluoro-4-methylphenyl)-thiophen-2-ylmethanamine

C12H11F2NS — CID 131300822

IUPAC(R)-(2,3-difluoro-4-methylphenyl)-thiophen-2-ylmethanamine
SMILESCc1ccc([C@@H](N)c2cccs2)c(F)c1F
InChIInChI=1S/C12H11F2NS/c1-7-4-5-8(11(14)10(7)13)12(15)9-3-2-6-16-9/h2-6,12H,15H2,1H3/t12-/m1/s1
InChIKeyZVISGSVBJNYJBX-GFCCVEGCSA-N
MW239.29 g/mol
LogP3.38
Rot. Bonds2

About (R)-(2,3-difluoro-4-methylphenyl)-thiophen-2-ylmethanamine

(R)-(2,3-difluoro-4-methylphenyl)-thiophen-2-ylmethanamine (PubChem CID 131300822) has the molecular formula C12H11F2NS and a molecular weight of 239.29 g/mol. Its IUPAC name is (R)-(2,3-difluoro-4-methylphenyl)-thiophen-2-ylmethanamine.

Molecular Properties

Compound Name(R)-(2,3-difluoro-4-methylphenyl)-thiophen-2-ylmethanamine
PubChem CID131300822
Molecular FormulaC12H11F2NS
Molecular Weight239.29 g/mol
Exact Mass239.06
IUPAC Name(R)-(2,3-difluoro-4-methylphenyl)-thiophen-2-ylmethanamine
SMILESCc1ccc([C@@H](N)c2cccs2)c(F)c1F
InChIInChI=1S/C12H11F2NS/c1-7-4-5-8(11(14)10(7)13)12(15)9-3-2-6-16-9/h2-6,12H,15H2,1H3/t12-/m1/s1
InChIKeyZVISGSVBJNYJBX-GFCCVEGCSA-N
XLogP3.38
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 ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(S)-thiophen-2-yl-(2,3,4-trifluorophenyl)methanamine;hydrochloride
CID 171205796
(R)-(4-fluoro-2-methylphenyl)-thiophen-2-ylmethanamine
CID 131473320
(S)-(4-fluoro-2-methylphenyl)-thiophen-2-ylmethanamine;hydrochloride
CID 171201828
(R)-(2,3-difluorophenyl)-thiophen-2-ylmethanamine
CID 94532686
(S)-(5-bromo-2-fluoro-3-methylphenyl)-thiophen-2-ylmethanamine;hydrochloride
CID 171204986
(S)-(3-chloro-2-fluorophenyl)-thiophen-2-ylmethanamine
CID 131296076
(R)-(3-fluoro-2-methylphenyl)-thiophen-2-ylmethanamine;hydrochloride
CID 171223396
(2-fluorophenyl)-thiophen-2-ylmethanamine
CID 43186746
(R)-(2,4-difluorophenyl)-thiophen-2-ylmethanamine;hydrochloride
CID 171218565
(4-methyl-3-pyridinyl)-thiophen-2-ylmethanamine
CID 66274388
(R)-(4-methoxy-2-methylphenyl)-thiophen-2-ylmethanamine
CID 93054120
(R)-(2-chloro-6-fluoro-3-methylphenyl)-thiophen-2-ylmethanamine
CID 171229302

Frequently Asked Questions

What is the IUPAC name of (R)-(2,3-difluoro-4-methylphenyl)-thiophen-2-ylmethanamine?
The IUPAC name of (R)-(2,3-difluoro-4-methylphenyl)-thiophen-2-ylmethanamine (CID 131300822) is (R)-(2,3-difluoro-4-methylphenyl)-thiophen-2-ylmethanamine.
What is the SMILES notation for (R)-(2,3-difluoro-4-methylphenyl)-thiophen-2-ylmethanamine?
The canonical SMILES for (R)-(2,3-difluoro-4-methylphenyl)-thiophen-2-ylmethanamine is Cc1ccc([C@@H](N)c2cccs2)c(F)c1F.
What is the InChIKey of (R)-(2,3-difluoro-4-methylphenyl)-thiophen-2-ylmethanamine?
The InChIKey is ZVISGSVBJNYJBX-GFCCVEGCSA-N. The full InChI is InChI=1S/C12H11F2NS/c1-7-4-5-8(11(14)10(7)13)12(15)9-3-2-6-16-9/h2-6,12H,15H2,1H3/t12-/m1/s1.
What are the key properties of (R)-(2,3-difluoro-4-methylphenyl)-thiophen-2-ylmethanamine?
(R)-(2,3-difluoro-4-methylphenyl)-thiophen-2-ylmethanamine has a molecular weight of 239.29 g/mol, XLogP of 3.38, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-(2,3-difluoro-4-methylphenyl)-thiophen-2-ylmethanamine is sourced from PubChem (CID 131300822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).