1-[3-(trifluoromethyl)thiophen-2-yl]butan-2-amine

C9H12F3NS — CID 70195734

IUPAC1-[3-(trifluoromethyl)thiophen-2-yl]butan-2-amine
SMILESCCC(N)Cc1sccc1C(F)(F)F
InChIInChI=1S/C9H12F3NS/c1-2-6(13)5-8-7(3-4-14-8)9(10,11)12/h3-4,6H,2,5,13H2,1H3
InChIKeyRTPYSYRCXJSFQY-UHFFFAOYSA-N
MW223.26 g/mol
LogP3.05
Rot. Bonds3

About 1-[3-(trifluoromethyl)thiophen-2-yl]butan-2-amine

1-[3-(trifluoromethyl)thiophen-2-yl]butan-2-amine (PubChem CID 70195734) has the molecular formula C9H12F3NS and a molecular weight of 223.26 g/mol. Its IUPAC name is 1-[3-(trifluoromethyl)thiophen-2-yl]butan-2-amine.

Molecular Properties

Compound Name1-[3-(trifluoromethyl)thiophen-2-yl]butan-2-amine
PubChem CID70195734
Molecular FormulaC9H12F3NS
Molecular Weight223.26 g/mol
Exact Mass223.06
IUPAC Name1-[3-(trifluoromethyl)thiophen-2-yl]butan-2-amine
SMILESCCC(N)Cc1sccc1C(F)(F)F
InChIInChI=1S/C9H12F3NS/c1-2-6(13)5-8-7(3-4-14-8)9(10,11)12/h3-4,6H,2,5,13H2,1H3
InChIKeyRTPYSYRCXJSFQY-UHFFFAOYSA-N
XLogP3.05
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
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 1-[3-(trifluoromethyl)thiophen-2-yl]butan-2-amine?
The IUPAC name of 1-[3-(trifluoromethyl)thiophen-2-yl]butan-2-amine (CID 70195734) is 1-[3-(trifluoromethyl)thiophen-2-yl]butan-2-amine.
What is the SMILES notation for 1-[3-(trifluoromethyl)thiophen-2-yl]butan-2-amine?
The canonical SMILES for 1-[3-(trifluoromethyl)thiophen-2-yl]butan-2-amine is CCC(N)Cc1sccc1C(F)(F)F.
What is the InChIKey of 1-[3-(trifluoromethyl)thiophen-2-yl]butan-2-amine?
The InChIKey is RTPYSYRCXJSFQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F3NS/c1-2-6(13)5-8-7(3-4-14-8)9(10,11)12/h3-4,6H,2,5,13H2,1H3.
What are the key properties of 1-[3-(trifluoromethyl)thiophen-2-yl]butan-2-amine?
1-[3-(trifluoromethyl)thiophen-2-yl]butan-2-amine has a molecular weight of 223.26 g/mol, XLogP of 3.05, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(trifluoromethyl)thiophen-2-yl]butan-2-amine is sourced from PubChem (CID 70195734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).