4-(3-chlorophenyl)-N-[3-(trifluoromethyl)phenyl]thiophen-2-amine

C17H11ClF3NS — CID 156506665

IUPAC4-(3-chlorophenyl)-N-[3-(trifluoromethyl)phenyl]thiophen-2-amine
SMILESFC(F)(F)c1cccc(Nc2cc(-c3cccc(Cl)c3)cs2)c1
InChIInChI=1S/C17H11ClF3NS/c18-14-5-1-3-11(7-14)12-8-16(23-10-12)22-15-6-2-4-13(9-15)17(19,20)21/h1-10,22H
InChIKeyNYQWGRZGBSYINY-UHFFFAOYSA-N
MW353.80 g/mol
LogP6.83
Rot. Bonds3

About 4-(3-chlorophenyl)-N-[3-(trifluoromethyl)phenyl]thiophen-2-amine

4-(3-chlorophenyl)-N-[3-(trifluoromethyl)phenyl]thiophen-2-amine (PubChem CID 156506665) has the molecular formula C17H11ClF3NS and a molecular weight of 353.80 g/mol. Its IUPAC name is 4-(3-chlorophenyl)-N-[3-(trifluoromethyl)phenyl]thiophen-2-amine.

Molecular Properties

Compound Name4-(3-chlorophenyl)-N-[3-(trifluoromethyl)phenyl]thiophen-2-amine
PubChem CID156506665
Molecular FormulaC17H11ClF3NS
Molecular Weight353.80 g/mol
Exact Mass353.03
IUPAC Name4-(3-chlorophenyl)-N-[3-(trifluoromethyl)phenyl]thiophen-2-amine
SMILESFC(F)(F)c1cccc(Nc2cc(-c3cccc(Cl)c3)cs2)c1
InChIInChI=1S/C17H11ClF3NS/c18-14-5-1-3-11(7-14)12-8-16(23-10-12)22-15-6-2-4-13(9-15)17(19,20)21/h1-10,22H
InChIKeyNYQWGRZGBSYINY-UHFFFAOYSA-N
XLogP6.83
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.80
LogP ≤ 56.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[3-(trifluoromethyl)phenyl]-3-[4-(trifluoromethyl)phenyl]aniline
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CID 156518197
3-chloro-5-[2-[3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]benzonitrile
CID 156506524
5-(3-chlorophenyl)-N-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazole-2-carboxamide
CID 110391456
1-N-(3-chlorophenyl)-4-(trifluoromethyl)benzene-1,2-diamine
CID 29067186
1-chloro-2-(3-chlorophenyl)-4-(trifluoromethyl)benzene
CID 91233147
CID 68547080
CID 68547080
2,6-difluoro-N-[3-(trifluoromethyl)phenyl]aniline
CID 82536810
6-chloro-2-N-[3-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine
CID 80762662
chlorobenzene;[3-(trifluoromethyl)phenyl]carbamic acid
CID 174624155
3-ethyl-4-methyl-N-[3-(trifluoromethyl)phenyl]-1,3-thiazol-3-ium-2-amine bromide
CID 45125435
sodium 4-chloro-2-[3-(trifluoromethyl)anilino]benzoate
CID 23680234

Frequently Asked Questions

What is the IUPAC name of 4-(3-chlorophenyl)-N-[3-(trifluoromethyl)phenyl]thiophen-2-amine?
The IUPAC name of 4-(3-chlorophenyl)-N-[3-(trifluoromethyl)phenyl]thiophen-2-amine (CID 156506665) is 4-(3-chlorophenyl)-N-[3-(trifluoromethyl)phenyl]thiophen-2-amine.
What is the SMILES notation for 4-(3-chlorophenyl)-N-[3-(trifluoromethyl)phenyl]thiophen-2-amine?
The canonical SMILES for 4-(3-chlorophenyl)-N-[3-(trifluoromethyl)phenyl]thiophen-2-amine is FC(F)(F)c1cccc(Nc2cc(-c3cccc(Cl)c3)cs2)c1.
What is the InChIKey of 4-(3-chlorophenyl)-N-[3-(trifluoromethyl)phenyl]thiophen-2-amine?
The InChIKey is NYQWGRZGBSYINY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11ClF3NS/c18-14-5-1-3-11(7-14)12-8-16(23-10-12)22-15-6-2-4-13(9-15)17(19,20)21/h1-10,22H.
What are the key properties of 4-(3-chlorophenyl)-N-[3-(trifluoromethyl)phenyl]thiophen-2-amine?
4-(3-chlorophenyl)-N-[3-(trifluoromethyl)phenyl]thiophen-2-amine has a molecular weight of 353.80 g/mol, XLogP of 6.83, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chlorophenyl)-N-[3-(trifluoromethyl)phenyl]thiophen-2-amine is sourced from PubChem (CID 156506665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).