4-[3-(trifluoromethyl)thiophen-2-yl]butan-2-amine

C9H12F3NS — CID 18466510

IUPAC4-[3-(trifluoromethyl)thiophen-2-yl]butan-2-amine
SMILESCC(N)CCc1sccc1C(F)(F)F
InChIInChI=1S/C9H12F3NS/c1-6(13)2-3-8-7(4-5-14-8)9(10,11)12/h4-6H,2-3,13H2,1H3
InChIKeyWNMCHGPJYHQKMK-UHFFFAOYSA-N
MW223.26 g/mol
LogP3.05
Rot. Bonds3

About 4-[3-(trifluoromethyl)thiophen-2-yl]butan-2-amine

4-[3-(trifluoromethyl)thiophen-2-yl]butan-2-amine (PubChem CID 18466510) has the molecular formula C9H12F3NS and a molecular weight of 223.26 g/mol. Its IUPAC name is 4-[3-(trifluoromethyl)thiophen-2-yl]butan-2-amine.

Molecular Properties

Compound Name4-[3-(trifluoromethyl)thiophen-2-yl]butan-2-amine
PubChem CID18466510
Molecular FormulaC9H12F3NS
Molecular Weight223.26 g/mol
Exact Mass223.06
IUPAC Name4-[3-(trifluoromethyl)thiophen-2-yl]butan-2-amine
SMILESCC(N)CCc1sccc1C(F)(F)F
InChIInChI=1S/C9H12F3NS/c1-6(13)2-3-8-7(4-5-14-8)9(10,11)12/h4-6H,2-3,13H2,1H3
InChIKeyWNMCHGPJYHQKMK-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 4-[3-(trifluoromethyl)thiophen-2-yl]butan-2-amine?
The IUPAC name of 4-[3-(trifluoromethyl)thiophen-2-yl]butan-2-amine (CID 18466510) is 4-[3-(trifluoromethyl)thiophen-2-yl]butan-2-amine.
What is the SMILES notation for 4-[3-(trifluoromethyl)thiophen-2-yl]butan-2-amine?
The canonical SMILES for 4-[3-(trifluoromethyl)thiophen-2-yl]butan-2-amine is CC(N)CCc1sccc1C(F)(F)F.
What is the InChIKey of 4-[3-(trifluoromethyl)thiophen-2-yl]butan-2-amine?
The InChIKey is WNMCHGPJYHQKMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F3NS/c1-6(13)2-3-8-7(4-5-14-8)9(10,11)12/h4-6H,2-3,13H2,1H3.
What are the key properties of 4-[3-(trifluoromethyl)thiophen-2-yl]butan-2-amine?
4-[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 4-[3-(trifluoromethyl)thiophen-2-yl]butan-2-amine is sourced from PubChem (CID 18466510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).