5-chloro-N-methyl-N-(2,2,2-trifluoroethyl)thiophen-2-amine

C7H7ClF3NS — CID 115257746

IUPAC5-chloro-N-methyl-N-(2,2,2-trifluoroethyl)thiophen-2-amine
SMILESCN(CC(F)(F)F)c1ccc(Cl)s1
InChIInChI=1S/C7H7ClF3NS/c1-12(4-7(9,10)11)6-3-2-5(8)13-6/h2-3H,4H2,1H3
InChIKeyULBAETSHRPSBID-UHFFFAOYSA-N
MW229.65 g/mol
LogP3.40
Rot. Bonds2

About 5-chloro-N-methyl-N-(2,2,2-trifluoroethyl)thiophen-2-amine

5-chloro-N-methyl-N-(2,2,2-trifluoroethyl)thiophen-2-amine (PubChem CID 115257746) has the molecular formula C7H7ClF3NS and a molecular weight of 229.65 g/mol. Its IUPAC name is 5-chloro-N-methyl-N-(2,2,2-trifluoroethyl)thiophen-2-amine.

Molecular Properties

Compound Name5-chloro-N-methyl-N-(2,2,2-trifluoroethyl)thiophen-2-amine
PubChem CID115257746
Molecular FormulaC7H7ClF3NS
Molecular Weight229.65 g/mol
Exact Mass228.99
IUPAC Name5-chloro-N-methyl-N-(2,2,2-trifluoroethyl)thiophen-2-amine
SMILESCN(CC(F)(F)F)c1ccc(Cl)s1
InChIInChI=1S/C7H7ClF3NS/c1-12(4-7(9,10)11)6-3-2-5(8)13-6/h2-3H,4H2,1H3
InChIKeyULBAETSHRPSBID-UHFFFAOYSA-N
XLogP3.40
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.65
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(5-chlorothiophen-2-yl)-2,2,2-trifluoro-N-methylacetamide
CID 115190169
5-chloro-N-(2,2,2-trifluoroethyl)thiophen-2-amine
CID 115257639
N-methyl-N-(2,2,2-trifluoroethyl)thiophen-2-amine
CID 115257715
5-chloro-N-methylthiophen-2-amine
CID 66829073
5-chloro-N-ethyl-N-methylthiophen-2-amine
CID 67755029
(5-Chlorothiophen-2-yl)-methylidene-propan-2-ylazanium
CID 67755123
5-chloro-N-propan-2-ylthiophen-2-amine
CID 83529681
N-(5-chlorothiophen-2-yl)-N-methylhydroxylamine
CID 91603998
4-chloro-N,N-dimethylthiophen-2-amine
CID 141075308
1-[(5-Chlorothiophen-2-yl)-methylamino]ethanol
CID 151088471
3-(5-chlorothiophen-2-yl)-2-methyl-2H-1,3-thiazole
CID 156754606
(5-Chlorothiophen-2-yl)-diethyl-phosphonatoazanium
CID 20372103

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-methyl-N-(2,2,2-trifluoroethyl)thiophen-2-amine?
The IUPAC name of 5-chloro-N-methyl-N-(2,2,2-trifluoroethyl)thiophen-2-amine (CID 115257746) is 5-chloro-N-methyl-N-(2,2,2-trifluoroethyl)thiophen-2-amine.
What is the SMILES notation for 5-chloro-N-methyl-N-(2,2,2-trifluoroethyl)thiophen-2-amine?
The canonical SMILES for 5-chloro-N-methyl-N-(2,2,2-trifluoroethyl)thiophen-2-amine is CN(CC(F)(F)F)c1ccc(Cl)s1.
What is the InChIKey of 5-chloro-N-methyl-N-(2,2,2-trifluoroethyl)thiophen-2-amine?
The InChIKey is ULBAETSHRPSBID-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7ClF3NS/c1-12(4-7(9,10)11)6-3-2-5(8)13-6/h2-3H,4H2,1H3.
What are the key properties of 5-chloro-N-methyl-N-(2,2,2-trifluoroethyl)thiophen-2-amine?
5-chloro-N-methyl-N-(2,2,2-trifluoroethyl)thiophen-2-amine has a molecular weight of 229.65 g/mol, XLogP of 3.40, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-methyl-N-(2,2,2-trifluoroethyl)thiophen-2-amine is sourced from PubChem (CID 115257746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).