2,2,2-trifluoro-N-(1-thiophen-2-ylethyl)ethanamine

C8H10F3NS — CID 24694063

IUPAC2,2,2-trifluoro-N-(1-thiophen-2-ylethyl)ethanamine
SMILESCC(NCC(F)(F)F)c1cccs1
InChIInChI=1S/C8H10F3NS/c1-6(7-3-2-4-13-7)12-5-8(9,10)11/h2-4,6,12H,5H2,1H3
InChIKeyJBNTUPHNWVVPNQ-UHFFFAOYSA-N
MW209.24 g/mol
LogP2.96
Rot. Bonds3

About 2,2,2-trifluoro-N-(1-thiophen-2-ylethyl)ethanamine

2,2,2-trifluoro-N-(1-thiophen-2-ylethyl)ethanamine (PubChem CID 24694063) has the molecular formula C8H10F3NS and a molecular weight of 209.24 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-(1-thiophen-2-ylethyl)ethanamine.

Molecular Properties

Compound Name2,2,2-trifluoro-N-(1-thiophen-2-ylethyl)ethanamine
PubChem CID24694063
Molecular FormulaC8H10F3NS
Molecular Weight209.24 g/mol
Exact Mass209.05
IUPAC Name2,2,2-trifluoro-N-(1-thiophen-2-ylethyl)ethanamine
SMILESCC(NCC(F)(F)F)c1cccs1
InChIInChI=1S/C8H10F3NS/c1-6(7-3-2-4-13-7)12-5-8(9,10)11/h2-4,6,12H,5H2,1H3
InChIKeyJBNTUPHNWVVPNQ-UHFFFAOYSA-N
XLogP2.96
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.24
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Methiopropamine (N-methyl-1-(thiophen-2-yl)propan-2-amine)
CID 458582
Methiopropamine
CID 436156
1-(2-Thienyl)-1-aminoethane
CID 238233
Bis((thiophen-2-yl)methyl)amine
CID 252453
N-Methyl-1-(thiophen-2-yl)methanamine
CID 436153
N-isopropyl-N'-(2-thienylmethyl)thiourea
CID 972147
N-[(3-methylthiophen-2-yl)methyl]cyclohexanamine
CID 4721499
(Prop-2-en-1-yl)(thiophen-2-ylmethyl)amine
CID 2560646
Ethyl[(thiophen-2-yl)methyl]amine
CID 4716479
2-(Thiophen-2-yl)pyrrolidine
CID 339554
N'-[3-(thiophen-2-ylmethylamino)propyl]octane-1,8-diamine
CID 76324403
Cyclohexyl-(5-methyl-thiophen-2-ylmethyl)-amine
CID 17295952

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-(1-thiophen-2-ylethyl)ethanamine?
The IUPAC name of 2,2,2-trifluoro-N-(1-thiophen-2-ylethyl)ethanamine (CID 24694063) is 2,2,2-trifluoro-N-(1-thiophen-2-ylethyl)ethanamine.
What is the SMILES notation for 2,2,2-trifluoro-N-(1-thiophen-2-ylethyl)ethanamine?
The canonical SMILES for 2,2,2-trifluoro-N-(1-thiophen-2-ylethyl)ethanamine is CC(NCC(F)(F)F)c1cccs1.
What is the InChIKey of 2,2,2-trifluoro-N-(1-thiophen-2-ylethyl)ethanamine?
The InChIKey is JBNTUPHNWVVPNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3NS/c1-6(7-3-2-4-13-7)12-5-8(9,10)11/h2-4,6,12H,5H2,1H3.
What are the key properties of 2,2,2-trifluoro-N-(1-thiophen-2-ylethyl)ethanamine?
2,2,2-trifluoro-N-(1-thiophen-2-ylethyl)ethanamine has a molecular weight of 209.24 g/mol, XLogP of 2.96, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-(1-thiophen-2-ylethyl)ethanamine is sourced from PubChem (CID 24694063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).