2-methyl-1-[5-(trifluoromethyl)thiophen-2-yl]propan-2-amine

C9H12F3NS — CID 96886776

IUPAC2-methyl-1-[5-(trifluoromethyl)thiophen-2-yl]propan-2-amine
SMILESCC(C)(N)Cc1ccc(C(F)(F)F)s1
InChIInChI=1S/C9H12F3NS/c1-8(2,13)5-6-3-4-7(14-6)9(10,11)12/h3-4H,5,13H2,1-2H3
InChIKeyWTVASCRCICWUCB-UHFFFAOYSA-N
MW223.26 g/mol
LogP3.05
Rot. Bonds2

About 2-methyl-1-[5-(trifluoromethyl)thiophen-2-yl]propan-2-amine

2-methyl-1-[5-(trifluoromethyl)thiophen-2-yl]propan-2-amine (PubChem CID 96886776) has the molecular formula C9H12F3NS and a molecular weight of 223.26 g/mol. Its IUPAC name is 2-methyl-1-[5-(trifluoromethyl)thiophen-2-yl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-1-[5-(trifluoromethyl)thiophen-2-yl]propan-2-amine
PubChem CID96886776
Molecular FormulaC9H12F3NS
Molecular Weight223.26 g/mol
Exact Mass223.06
IUPAC Name2-methyl-1-[5-(trifluoromethyl)thiophen-2-yl]propan-2-amine
SMILESCC(C)(N)Cc1ccc(C(F)(F)F)s1
InChIInChI=1S/C9H12F3NS/c1-8(2,13)5-6-3-4-7(14-6)9(10,11)12/h3-4H,5,13H2,1-2H3
InChIKeyWTVASCRCICWUCB-UHFFFAOYSA-N
XLogP3.05
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.26
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[5-(trifluoromethyl)thiophen-2-yl]propan-2-amine?
The IUPAC name of 2-methyl-1-[5-(trifluoromethyl)thiophen-2-yl]propan-2-amine (CID 96886776) is 2-methyl-1-[5-(trifluoromethyl)thiophen-2-yl]propan-2-amine.
What is the SMILES notation for 2-methyl-1-[5-(trifluoromethyl)thiophen-2-yl]propan-2-amine?
The canonical SMILES for 2-methyl-1-[5-(trifluoromethyl)thiophen-2-yl]propan-2-amine is CC(C)(N)Cc1ccc(C(F)(F)F)s1.
What is the InChIKey of 2-methyl-1-[5-(trifluoromethyl)thiophen-2-yl]propan-2-amine?
The InChIKey is WTVASCRCICWUCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F3NS/c1-8(2,13)5-6-3-4-7(14-6)9(10,11)12/h3-4H,5,13H2,1-2H3.
What are the key properties of 2-methyl-1-[5-(trifluoromethyl)thiophen-2-yl]propan-2-amine?
2-methyl-1-[5-(trifluoromethyl)thiophen-2-yl]propan-2-amine has a molecular weight of 223.26 g/mol, XLogP of 3.05, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[5-(trifluoromethyl)thiophen-2-yl]propan-2-amine is sourced from PubChem (CID 96886776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).