[3-(trifluoromethyl)thiophen-2-yl]methanamine

C6H6F3NS — CID 142503429

IUPAC[3-(trifluoromethyl)thiophen-2-yl]methanamine
SMILESNCc1sccc1C(F)(F)F
InChIInChI=1S/C6H6F3NS/c7-6(8,9)4-1-2-11-5(4)3-10/h1-2H,3,10H2
InChIKeyKRTHGGAKAFRRPB-UHFFFAOYSA-N
MW181.18 g/mol
LogP2.23
Rot. Bonds1

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

[3-(trifluoromethyl)thiophen-2-yl]methanamine (PubChem CID 142503429) has the molecular formula C6H6F3NS and a molecular weight of 181.18 g/mol. Its IUPAC name is [3-(trifluoromethyl)thiophen-2-yl]methanamine.

Molecular Properties

Compound Name[3-(trifluoromethyl)thiophen-2-yl]methanamine
PubChem CID142503429
Molecular FormulaC6H6F3NS
Molecular Weight181.18 g/mol
Exact Mass181.02
IUPAC Name[3-(trifluoromethyl)thiophen-2-yl]methanamine
SMILESNCc1sccc1C(F)(F)F
InChIInChI=1S/C6H6F3NS/c7-6(8,9)4-1-2-11-5(4)3-10/h1-2H,3,10H2
InChIKeyKRTHGGAKAFRRPB-UHFFFAOYSA-N
XLogP2.23
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.18
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Methyl[(3-methylthiophen-2-yl)methyl]amine hydrochloride
CID 16187615
(2-Thienylmethyl)amine
CID 34005
3-Methylthiophene-2-carbothioamide
CID 2740365
(3-Methylthiophen-2-yl)methanamine
CID 2798756
(4-Methylthiophen-2-yl)methanamine
CID 2795528
(2,5-Dimethylthiophen-3-yl)methanamine
CID 46784114
2-(2-Thienyl)allylamine
CID 127374
Thiophen-2-ylmethanamine hydrochloride
CID 458571
N-methyl-1-(3-methylthiophen-2-yl)methanamine
CID 961382
2-(Thiophen-3-yl)prop-2-en-1-amine
CID 13583271
5-Methyl-3-thiophenemethanamine
CID 54013578
(3-Ethylthiophen-2-yl)methanamine
CID 61389287

Frequently Asked Questions

What is the IUPAC name of [3-(trifluoromethyl)thiophen-2-yl]methanamine?
The IUPAC name of [3-(trifluoromethyl)thiophen-2-yl]methanamine (CID 142503429) is [3-(trifluoromethyl)thiophen-2-yl]methanamine.
What is the SMILES notation for [3-(trifluoromethyl)thiophen-2-yl]methanamine?
The canonical SMILES for [3-(trifluoromethyl)thiophen-2-yl]methanamine is NCc1sccc1C(F)(F)F.
What is the InChIKey of [3-(trifluoromethyl)thiophen-2-yl]methanamine?
The InChIKey is KRTHGGAKAFRRPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6F3NS/c7-6(8,9)4-1-2-11-5(4)3-10/h1-2H,3,10H2.
What are the key properties of [3-(trifluoromethyl)thiophen-2-yl]methanamine?
[3-(trifluoromethyl)thiophen-2-yl]methanamine has a molecular weight of 181.18 g/mol, XLogP of 2.23, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(trifluoromethyl)thiophen-2-yl]methanamine is sourced from PubChem (CID 142503429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).