(3-amino-5-chlorophenyl)-[4-(trifluoromethyl)thiophen-3-yl]methanone

C12H7ClF3NOS — CID 112745672

IUPAC(3-amino-5-chlorophenyl)-[4-(trifluoromethyl)thiophen-3-yl]methanone
SMILESNc1cc(Cl)cc(C(=O)c2cscc2C(F)(F)F)c1
InChIInChI=1S/C12H7ClF3NOS/c13-7-1-6(2-8(17)3-7)11(18)9-4-19-5-10(9)12(14,15)16/h1-5H,17H2
InChIKeyGLZUGGUDAXRFQK-UHFFFAOYSA-N
MW305.71 g/mol
LogP4.23
Rot. Bonds2

About (3-amino-5-chlorophenyl)-[4-(trifluoromethyl)thiophen-3-yl]methanone

(3-amino-5-chlorophenyl)-[4-(trifluoromethyl)thiophen-3-yl]methanone (PubChem CID 112745672) has the molecular formula C12H7ClF3NOS and a molecular weight of 305.71 g/mol. Its IUPAC name is (3-amino-5-chlorophenyl)-[4-(trifluoromethyl)thiophen-3-yl]methanone.

Molecular Properties

Compound Name(3-amino-5-chlorophenyl)-[4-(trifluoromethyl)thiophen-3-yl]methanone
PubChem CID112745672
Molecular FormulaC12H7ClF3NOS
Molecular Weight305.71 g/mol
Exact Mass304.99
IUPAC Name(3-amino-5-chlorophenyl)-[4-(trifluoromethyl)thiophen-3-yl]methanone
SMILESNc1cc(Cl)cc(C(=O)c2cscc2C(F)(F)F)c1
InChIInChI=1S/C12H7ClF3NOS/c13-7-1-6(2-8(17)3-7)11(18)9-4-19-5-10(9)12(14,15)16/h1-5H,17H2
InChIKeyGLZUGGUDAXRFQK-UHFFFAOYSA-N
XLogP4.23
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.71
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-chloro-1-[4-(trifluoromethyl)thiophen-3-yl]ethanone
CID 170999819
(3-amino-5-chlorophenyl)-(4-bromo-5-chlorothiophen-2-yl)methanone
CID 102837630
ethane;4-(trifluoromethyl)thiophene-3-carboxylic acid
CID 91615060
(2-chloro-4,5-difluorophenyl)-(3,5-diaminophenyl)methanone
CID 107477770
(3-amino-5-chlorophenyl)-(5-bromo-4-fluoro-2-methoxyphenyl)methanone
CID 103396702
5-amino-2,3-bis(trifluoromethyl)benzoyl chloride
CID 134629225
5-amino-2-chloro-3-(trifluoromethyl)benzoic acid
CID 134413268
(2-methylsulfanylphenyl)-[4-(trifluoromethyl)thiophen-3-yl]methanone
CID 112745680
(3-chlorophenyl)-[2-(trifluoromethyl)phenyl]methanone
CID 62802145
(3-amino-5-fluorophenyl)-(2,4,6-trichlorophenyl)methanone
CID 105350243
3-amino-5-chloro-N-(4,4,4-trifluorobutyl)benzamide
CID 113326593
1-(3-amino-5-chlorophenyl)-4,4-dimethylpentan-1-one
CID 116597298

Frequently Asked Questions

What is the IUPAC name of (3-amino-5-chlorophenyl)-[4-(trifluoromethyl)thiophen-3-yl]methanone?
The IUPAC name of (3-amino-5-chlorophenyl)-[4-(trifluoromethyl)thiophen-3-yl]methanone (CID 112745672) is (3-amino-5-chlorophenyl)-[4-(trifluoromethyl)thiophen-3-yl]methanone.
What is the SMILES notation for (3-amino-5-chlorophenyl)-[4-(trifluoromethyl)thiophen-3-yl]methanone?
The canonical SMILES for (3-amino-5-chlorophenyl)-[4-(trifluoromethyl)thiophen-3-yl]methanone is Nc1cc(Cl)cc(C(=O)c2cscc2C(F)(F)F)c1.
What is the InChIKey of (3-amino-5-chlorophenyl)-[4-(trifluoromethyl)thiophen-3-yl]methanone?
The InChIKey is GLZUGGUDAXRFQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7ClF3NOS/c13-7-1-6(2-8(17)3-7)11(18)9-4-19-5-10(9)12(14,15)16/h1-5H,17H2.
What are the key properties of (3-amino-5-chlorophenyl)-[4-(trifluoromethyl)thiophen-3-yl]methanone?
(3-amino-5-chlorophenyl)-[4-(trifluoromethyl)thiophen-3-yl]methanone has a molecular weight of 305.71 g/mol, XLogP of 4.23, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-5-chlorophenyl)-[4-(trifluoromethyl)thiophen-3-yl]methanone is sourced from PubChem (CID 112745672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).