(3-chlorothiophen-2-yl)-[5-fluoro-2-(trifluoromethyl)phenyl]methanamine

C12H8ClF4NS — CID 107360058

IUPAC(3-chlorothiophen-2-yl)-[5-fluoro-2-(trifluoromethyl)phenyl]methanamine
SMILESNC(c1cc(F)ccc1C(F)(F)F)c1sccc1Cl
InChIInChI=1S/C12H8ClF4NS/c13-9-3-4-19-11(9)10(18)7-5-6(14)1-2-8(7)12(15,16)17/h1-5,10H,18H2
InChIKeyZFRSGDNBHLLUSH-UHFFFAOYSA-N
MW309.72 g/mol
LogP4.61
Rot. Bonds2

About (3-chlorothiophen-2-yl)-[5-fluoro-2-(trifluoromethyl)phenyl]methanamine

(3-chlorothiophen-2-yl)-[5-fluoro-2-(trifluoromethyl)phenyl]methanamine (PubChem CID 107360058) has the molecular formula C12H8ClF4NS and a molecular weight of 309.72 g/mol. Its IUPAC name is (3-chlorothiophen-2-yl)-[5-fluoro-2-(trifluoromethyl)phenyl]methanamine.

Molecular Properties

Compound Name(3-chlorothiophen-2-yl)-[5-fluoro-2-(trifluoromethyl)phenyl]methanamine
PubChem CID107360058
Molecular FormulaC12H8ClF4NS
Molecular Weight309.72 g/mol
Exact Mass309.00
IUPAC Name(3-chlorothiophen-2-yl)-[5-fluoro-2-(trifluoromethyl)phenyl]methanamine
SMILESNC(c1cc(F)ccc1C(F)(F)F)c1sccc1Cl
InChIInChI=1S/C12H8ClF4NS/c13-9-3-4-19-11(9)10(18)7-5-6(14)1-2-8(7)12(15,16)17/h1-5,10H,18H2
InChIKeyZFRSGDNBHLLUSH-UHFFFAOYSA-N
XLogP4.61
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.72
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(R)-[5-fluoro-2-(trifluoromethyl)phenyl]-thiophen-3-ylmethanamine;hydrochloride
CID 171228701
(3-chlorothiophen-2-yl)-[4-(trifluoromethyl)phenyl]methanamine
CID 80529980
(3-chlorothiophen-2-yl)-(2,5-difluoro-4-methylphenyl)methanamine
CID 80644112
2-(dichloromethyl)-4-fluoro-1-(trifluoromethyl)benzene
CID 11230374
(3-chlorothiophen-2-yl)-(2-methylthiophen-3-yl)methanamine
CID 102841415
(1S,2R)-1-amino-1-[5-fluoro-2-(trifluoromethyl)phenyl]propan-2-ol
CID 131490477
(1R,2S)-1-amino-1-[5-fluoro-2-(trifluoromethyl)phenyl]propan-2-ol
CID 131252530
N-[(3-chlorothiophen-2-yl)-(2,5-difluorophenyl)methyl]ethanamine
CID 80644379
(3-chlorothiophen-2-yl)-(2,5-dimethylthiophen-3-yl)methanamine
CID 80645040
[(4-chlorophenyl)-[5-fluoro-2-(trifluoromethyl)phenyl]methyl]hydrazine
CID 105257620
1-(3-chlorothiophen-2-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-amine
CID 103309707
(1R,2S)-1-amino-1-[5-fluoro-2-(trifluoromethyl)phenyl]propan-2-ol;hydrochloride
CID 171263834

Frequently Asked Questions

What is the IUPAC name of (3-chlorothiophen-2-yl)-[5-fluoro-2-(trifluoromethyl)phenyl]methanamine?
The IUPAC name of (3-chlorothiophen-2-yl)-[5-fluoro-2-(trifluoromethyl)phenyl]methanamine (CID 107360058) is (3-chlorothiophen-2-yl)-[5-fluoro-2-(trifluoromethyl)phenyl]methanamine.
What is the SMILES notation for (3-chlorothiophen-2-yl)-[5-fluoro-2-(trifluoromethyl)phenyl]methanamine?
The canonical SMILES for (3-chlorothiophen-2-yl)-[5-fluoro-2-(trifluoromethyl)phenyl]methanamine is NC(c1cc(F)ccc1C(F)(F)F)c1sccc1Cl.
What is the InChIKey of (3-chlorothiophen-2-yl)-[5-fluoro-2-(trifluoromethyl)phenyl]methanamine?
The InChIKey is ZFRSGDNBHLLUSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8ClF4NS/c13-9-3-4-19-11(9)10(18)7-5-6(14)1-2-8(7)12(15,16)17/h1-5,10H,18H2.
What are the key properties of (3-chlorothiophen-2-yl)-[5-fluoro-2-(trifluoromethyl)phenyl]methanamine?
(3-chlorothiophen-2-yl)-[5-fluoro-2-(trifluoromethyl)phenyl]methanamine has a molecular weight of 309.72 g/mol, XLogP of 4.61, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chlorothiophen-2-yl)-[5-fluoro-2-(trifluoromethyl)phenyl]methanamine is sourced from PubChem (CID 107360058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).