1-thiophen-3-yl-N-(2,2,2-trifluoroethyl)propan-2-amine

C9H12F3NS — CID 61474164

IUPAC1-thiophen-3-yl-N-(2,2,2-trifluoroethyl)propan-2-amine
SMILESCC(Cc1ccsc1)NCC(F)(F)F
InChIInChI=1S/C9H12F3NS/c1-7(13-6-9(10,11)12)4-8-2-3-14-5-8/h2-3,5,7,13H,4,6H2,1H3
InChIKeyZCHCCRXINWIHTD-UHFFFAOYSA-N
MW223.26 g/mol
LogP2.83
Rot. Bonds4

About 1-thiophen-3-yl-N-(2,2,2-trifluoroethyl)propan-2-amine

1-thiophen-3-yl-N-(2,2,2-trifluoroethyl)propan-2-amine (PubChem CID 61474164) has the molecular formula C9H12F3NS and a molecular weight of 223.26 g/mol. Its IUPAC name is 1-thiophen-3-yl-N-(2,2,2-trifluoroethyl)propan-2-amine.

Molecular Properties

Compound Name1-thiophen-3-yl-N-(2,2,2-trifluoroethyl)propan-2-amine
PubChem CID61474164
Molecular FormulaC9H12F3NS
Molecular Weight223.26 g/mol
Exact Mass223.06
IUPAC Name1-thiophen-3-yl-N-(2,2,2-trifluoroethyl)propan-2-amine
SMILESCC(Cc1ccsc1)NCC(F)(F)F
InChIInChI=1S/C9H12F3NS/c1-7(13-6-9(10,11)12)4-8-2-3-14-5-8/h2-3,5,7,13H,4,6H2,1H3
InChIKeyZCHCCRXINWIHTD-UHFFFAOYSA-N
XLogP2.83
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.26
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-thiophen-3-yl-N-(2,2,2-trifluoroethyl)propan-2-amine?
The IUPAC name of 1-thiophen-3-yl-N-(2,2,2-trifluoroethyl)propan-2-amine (CID 61474164) is 1-thiophen-3-yl-N-(2,2,2-trifluoroethyl)propan-2-amine.
What is the SMILES notation for 1-thiophen-3-yl-N-(2,2,2-trifluoroethyl)propan-2-amine?
The canonical SMILES for 1-thiophen-3-yl-N-(2,2,2-trifluoroethyl)propan-2-amine is CC(Cc1ccsc1)NCC(F)(F)F.
What is the InChIKey of 1-thiophen-3-yl-N-(2,2,2-trifluoroethyl)propan-2-amine?
The InChIKey is ZCHCCRXINWIHTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F3NS/c1-7(13-6-9(10,11)12)4-8-2-3-14-5-8/h2-3,5,7,13H,4,6H2,1H3.
What are the key properties of 1-thiophen-3-yl-N-(2,2,2-trifluoroethyl)propan-2-amine?
1-thiophen-3-yl-N-(2,2,2-trifluoroethyl)propan-2-amine has a molecular weight of 223.26 g/mol, XLogP of 2.83, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-thiophen-3-yl-N-(2,2,2-trifluoroethyl)propan-2-amine is sourced from PubChem (CID 61474164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).