3-methyl-N-(2,2,2-trifluoroethyl)thiophen-2-amine

C7H8F3NS — CID 115257713

IUPAC3-methyl-N-(2,2,2-trifluoroethyl)thiophen-2-amine
SMILESCc1ccsc1NCC(F)(F)F
InChIInChI=1S/C7H8F3NS/c1-5-2-3-12-6(5)11-4-7(8,9)10/h2-3,11H,4H2,1H3
InChIKeyJASLRYWMQMWUCJ-UHFFFAOYSA-N
MW195.21 g/mol
LogP3.03
Rot. Bonds2

About 3-methyl-N-(2,2,2-trifluoroethyl)thiophen-2-amine

3-methyl-N-(2,2,2-trifluoroethyl)thiophen-2-amine (PubChem CID 115257713) has the molecular formula C7H8F3NS and a molecular weight of 195.21 g/mol. Its IUPAC name is 3-methyl-N-(2,2,2-trifluoroethyl)thiophen-2-amine.

Molecular Properties

Compound Name3-methyl-N-(2,2,2-trifluoroethyl)thiophen-2-amine
PubChem CID115257713
Molecular FormulaC7H8F3NS
Molecular Weight195.21 g/mol
Exact Mass195.03
IUPAC Name3-methyl-N-(2,2,2-trifluoroethyl)thiophen-2-amine
SMILESCc1ccsc1NCC(F)(F)F
InChIInChI=1S/C7H8F3NS/c1-5-2-3-12-6(5)11-4-7(8,9)10/h2-3,11H,4H2,1H3
InChIKeyJASLRYWMQMWUCJ-UHFFFAOYSA-N
XLogP3.03
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.21
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(3-methylthiophen-2-yl)amino]ethanethiol
CID 115223746
2,2,2-trifluoro-N-[2-(3-methylthiophen-2-yl)ethyl]ethanamine
CID 115258076
ethyl 2-[(3-methylthiophen-2-yl)amino]acetate
CID 115257254
3-[(3-methylthiophen-2-yl)amino]propane-1,2-diol
CID 115121947
methyl 2-[(3-methylthiophen-2-yl)amino]acetate
CID 115232729
N-cyclopropyl-N'-(3-methylthiophen-2-yl)ethane-1,2-diamine
CID 115206808
2-fluoro-2-(3-methylthiophen-2-yl)propan-1-amine
CID 112565165
methyl 3-(2,2,2-trifluoroethylamino)thiophene-2-carboxylate
CID 69175818
1-[[(3-methylthiophen-2-yl)amino]methyl]cyclopropane-1-carbonitrile
CID 115242043
(E)-4-[(3-methylthiophen-2-yl)amino]but-2-enoic acid
CID 115236946
N-[(3-methylthiophen-2-yl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide
CID 78932006
N-(2,2,2-trifluoroethyl)-1-benzothiophen-5-amine
CID 65475860

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(2,2,2-trifluoroethyl)thiophen-2-amine?
The IUPAC name of 3-methyl-N-(2,2,2-trifluoroethyl)thiophen-2-amine (CID 115257713) is 3-methyl-N-(2,2,2-trifluoroethyl)thiophen-2-amine.
What is the SMILES notation for 3-methyl-N-(2,2,2-trifluoroethyl)thiophen-2-amine?
The canonical SMILES for 3-methyl-N-(2,2,2-trifluoroethyl)thiophen-2-amine is Cc1ccsc1NCC(F)(F)F.
What is the InChIKey of 3-methyl-N-(2,2,2-trifluoroethyl)thiophen-2-amine?
The InChIKey is JASLRYWMQMWUCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F3NS/c1-5-2-3-12-6(5)11-4-7(8,9)10/h2-3,11H,4H2,1H3.
What are the key properties of 3-methyl-N-(2,2,2-trifluoroethyl)thiophen-2-amine?
3-methyl-N-(2,2,2-trifluoroethyl)thiophen-2-amine has a molecular weight of 195.21 g/mol, XLogP of 3.03, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(2,2,2-trifluoroethyl)thiophen-2-amine is sourced from PubChem (CID 115257713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).