(3-chlorothiophen-2-yl)-[4-(trifluoromethyl)phenyl]methanamine

C12H9ClF3NS — CID 80529980

IUPAC(3-chlorothiophen-2-yl)-[4-(trifluoromethyl)phenyl]methanamine
SMILESNC(c1ccc(C(F)(F)F)cc1)c1sccc1Cl
InChIInChI=1S/C12H9ClF3NS/c13-9-5-6-18-11(9)10(17)7-1-3-8(4-2-7)12(14,15)16/h1-6,10H,17H2
InChIKeyXWSVBPBPFLJVBJ-UHFFFAOYSA-N
MW291.73 g/mol
LogP4.47
Rot. Bonds2

About (3-chlorothiophen-2-yl)-[4-(trifluoromethyl)phenyl]methanamine

(3-chlorothiophen-2-yl)-[4-(trifluoromethyl)phenyl]methanamine (PubChem CID 80529980) has the molecular formula C12H9ClF3NS and a molecular weight of 291.73 g/mol. Its IUPAC name is (3-chlorothiophen-2-yl)-[4-(trifluoromethyl)phenyl]methanamine.

Molecular Properties

Compound Name(3-chlorothiophen-2-yl)-[4-(trifluoromethyl)phenyl]methanamine
PubChem CID80529980
Molecular FormulaC12H9ClF3NS
Molecular Weight291.73 g/mol
Exact Mass291.01
IUPAC Name(3-chlorothiophen-2-yl)-[4-(trifluoromethyl)phenyl]methanamine
SMILESNC(c1ccc(C(F)(F)F)cc1)c1sccc1Cl
InChIInChI=1S/C12H9ClF3NS/c13-9-5-6-18-11(9)10(17)7-1-3-8(4-2-7)12(14,15)16/h1-6,10H,17H2
InChIKeyXWSVBPBPFLJVBJ-UHFFFAOYSA-N
XLogP4.47
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.73
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3-chlorothiophen-2-yl)-(4-methoxyphenyl)methanamine
CID 80529927
(S)-(3-chlorothiophen-2-yl)-thiophen-3-ylmethanamine;hydrochloride
CID 171222771
(3-chlorothiophen-2-yl)-(4-fluoro-3-methylphenyl)methanamine
CID 80529677
(4-bromo-3-fluorophenyl)-(3-chlorothiophen-2-yl)methanamine
CID 80529738
1-(3-chlorothiophen-2-yl)-4,4,4-trifluorobutan-1-amine
CID 80530078
1-(3-chlorothiophen-2-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-amine
CID 103309707
(R)-thiophen-2-yl-[4-[4-(trifluoromethyl)phenyl]phenyl]methanamine
CID 171231154
(3-chlorothiophen-2-yl)-[5-fluoro-2-(trifluoromethyl)phenyl]methanamine
CID 107360058
(3-chloro-4-iodophenyl)-[4-(trifluoromethyl)phenyl]methanamine
CID 103215160
(2,4-dichlorophenyl)-[4-(trifluoromethyl)phenyl]methanamine
CID 61273169
(3-chlorothiophen-2-yl)-(2,6-dichlorophenyl)methanamine
CID 80529772
(5-chlorofuran-2-yl)-[4-(trifluoromethyl)phenyl]methanamine
CID 106691938

Frequently Asked Questions

What is the IUPAC name of (3-chlorothiophen-2-yl)-[4-(trifluoromethyl)phenyl]methanamine?
The IUPAC name of (3-chlorothiophen-2-yl)-[4-(trifluoromethyl)phenyl]methanamine (CID 80529980) is (3-chlorothiophen-2-yl)-[4-(trifluoromethyl)phenyl]methanamine.
What is the SMILES notation for (3-chlorothiophen-2-yl)-[4-(trifluoromethyl)phenyl]methanamine?
The canonical SMILES for (3-chlorothiophen-2-yl)-[4-(trifluoromethyl)phenyl]methanamine is NC(c1ccc(C(F)(F)F)cc1)c1sccc1Cl.
What is the InChIKey of (3-chlorothiophen-2-yl)-[4-(trifluoromethyl)phenyl]methanamine?
The InChIKey is XWSVBPBPFLJVBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClF3NS/c13-9-5-6-18-11(9)10(17)7-1-3-8(4-2-7)12(14,15)16/h1-6,10H,17H2.
What are the key properties of (3-chlorothiophen-2-yl)-[4-(trifluoromethyl)phenyl]methanamine?
(3-chlorothiophen-2-yl)-[4-(trifluoromethyl)phenyl]methanamine has a molecular weight of 291.73 g/mol, XLogP of 4.47, 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)-[4-(trifluoromethyl)phenyl]methanamine is sourced from PubChem (CID 80529980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).