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

C12H9ClF3NS — CID 114748580

IUPAC[2-chloro-4-[4-(trifluoromethyl)phenyl]thiophen-3-yl]methanamine
SMILESNCc1c(-c2ccc(C(F)(F)F)cc2)csc1Cl
InChIInChI=1S/C12H9ClF3NS/c13-11-9(5-17)10(6-18-11)7-1-3-8(4-2-7)12(14,15)16/h1-4,6H,5,17H2
InChIKeySEPUWVZOCMXYHB-UHFFFAOYSA-N
MW291.73 g/mol
LogP4.55
Rot. Bonds2

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

[2-chloro-4-[4-(trifluoromethyl)phenyl]thiophen-3-yl]methanamine (PubChem CID 114748580) has the molecular formula C12H9ClF3NS and a molecular weight of 291.73 g/mol. Its IUPAC name is [2-chloro-4-[4-(trifluoromethyl)phenyl]thiophen-3-yl]methanamine.

Molecular Properties

Compound Name[2-chloro-4-[4-(trifluoromethyl)phenyl]thiophen-3-yl]methanamine
PubChem CID114748580
Molecular FormulaC12H9ClF3NS
Molecular Weight291.73 g/mol
Exact Mass291.01
IUPAC Name[2-chloro-4-[4-(trifluoromethyl)phenyl]thiophen-3-yl]methanamine
SMILESNCc1c(-c2ccc(C(F)(F)F)cc2)csc1Cl
InChIInChI=1S/C12H9ClF3NS/c13-11-9(5-17)10(6-18-11)7-1-3-8(4-2-7)12(14,15)16/h1-4,6H,5,17H2
InChIKeySEPUWVZOCMXYHB-UHFFFAOYSA-N
XLogP4.55
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 ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze [2-chloro-4-[4-(trifluoromethyl)phenyl]thiophen-3-yl]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-chloro-4-(4-methoxyphenyl)thiophen-3-yl]methanamine
CID 114748591
[4-chloro-3-[4-(trifluoromethyl)phenyl]phenyl]methanamine
CID 134631582
2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]ethanamine;hydrochloride
CID 156593509
1-[2-amino-4-[4-(trifluoromethyl)phenyl]thiophen-3-yl]ethanone
CID 65354727
5-chloro-2-hydroxy-3-[4-(trifluoromethyl)phenyl]benzamide
CID 23073720
3-(2-chlorophenyl)-4-[4-(trifluoromethyl)phenyl]thiophene
CID 102358532
3-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]propan-1-amine
CID 69235596
2,4-dichloro-1-[4-(trifluoromethyl)phenyl]benzene
CID 54501466
5-(aminomethyl)-6-(2,4-dichlorophenyl)-2-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine
CID 10237877
2-chloro-4-ethyl-5-[4-(trifluoromethyl)phenyl]-1,3-oxazole
CID 66696645
2-chloro-6-[4-(trifluoromethyl)phenyl]benzamide
CID 134626188
2-amino-N,N-dimethyl-4-[4-(trifluoromethyl)phenyl]thiophene-3-carboxamide
CID 43174821

Frequently Asked Questions

What is the IUPAC name of [2-chloro-4-[4-(trifluoromethyl)phenyl]thiophen-3-yl]methanamine?
The IUPAC name of [2-chloro-4-[4-(trifluoromethyl)phenyl]thiophen-3-yl]methanamine (CID 114748580) is [2-chloro-4-[4-(trifluoromethyl)phenyl]thiophen-3-yl]methanamine.
What is the SMILES notation for [2-chloro-4-[4-(trifluoromethyl)phenyl]thiophen-3-yl]methanamine?
The canonical SMILES for [2-chloro-4-[4-(trifluoromethyl)phenyl]thiophen-3-yl]methanamine is NCc1c(-c2ccc(C(F)(F)F)cc2)csc1Cl.
What is the InChIKey of [2-chloro-4-[4-(trifluoromethyl)phenyl]thiophen-3-yl]methanamine?
The InChIKey is SEPUWVZOCMXYHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClF3NS/c13-11-9(5-17)10(6-18-11)7-1-3-8(4-2-7)12(14,15)16/h1-4,6H,5,17H2.
What are the key properties of [2-chloro-4-[4-(trifluoromethyl)phenyl]thiophen-3-yl]methanamine?
[2-chloro-4-[4-(trifluoromethyl)phenyl]thiophen-3-yl]methanamine has a molecular weight of 291.73 g/mol, XLogP of 4.55, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-chloro-4-[4-(trifluoromethyl)phenyl]thiophen-3-yl]methanamine is sourced from PubChem (CID 114748580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).