4,4,4-trifluoro-N-methyl-1-thiophen-3-ylbutan-1-amine

C9H12F3NS — CID 64567206

IUPAC4,4,4-trifluoro-N-methyl-1-thiophen-3-ylbutan-1-amine
SMILESCNC(CCC(F)(F)F)c1ccsc1
InChIInChI=1S/C9H12F3NS/c1-13-8(2-4-9(10,11)12)7-3-5-14-6-7/h3,5-6,8,13H,2,4H2,1H3
InChIKeyAKUCNEXIHZDXNW-UHFFFAOYSA-N
MW223.26 g/mol
LogP3.35
Rot. Bonds4

About 4,4,4-trifluoro-N-methyl-1-thiophen-3-ylbutan-1-amine

4,4,4-trifluoro-N-methyl-1-thiophen-3-ylbutan-1-amine (PubChem CID 64567206) has the molecular formula C9H12F3NS and a molecular weight of 223.26 g/mol. Its IUPAC name is 4,4,4-trifluoro-N-methyl-1-thiophen-3-ylbutan-1-amine.

Molecular Properties

Compound Name4,4,4-trifluoro-N-methyl-1-thiophen-3-ylbutan-1-amine
PubChem CID64567206
Molecular FormulaC9H12F3NS
Molecular Weight223.26 g/mol
Exact Mass223.06
IUPAC Name4,4,4-trifluoro-N-methyl-1-thiophen-3-ylbutan-1-amine
SMILESCNC(CCC(F)(F)F)c1ccsc1
InChIInChI=1S/C9H12F3NS/c1-13-8(2-4-9(10,11)12)7-3-5-14-6-7/h3,5-6,8,13H,2,4H2,1H3
InChIKeyAKUCNEXIHZDXNW-UHFFFAOYSA-N
XLogP3.35
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 ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,4,4-trifluoro-N-methyl-1-thiophen-3-ylbutan-1-amine?
The IUPAC name of 4,4,4-trifluoro-N-methyl-1-thiophen-3-ylbutan-1-amine (CID 64567206) is 4,4,4-trifluoro-N-methyl-1-thiophen-3-ylbutan-1-amine.
What is the SMILES notation for 4,4,4-trifluoro-N-methyl-1-thiophen-3-ylbutan-1-amine?
The canonical SMILES for 4,4,4-trifluoro-N-methyl-1-thiophen-3-ylbutan-1-amine is CNC(CCC(F)(F)F)c1ccsc1.
What is the InChIKey of 4,4,4-trifluoro-N-methyl-1-thiophen-3-ylbutan-1-amine?
The InChIKey is AKUCNEXIHZDXNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F3NS/c1-13-8(2-4-9(10,11)12)7-3-5-14-6-7/h3,5-6,8,13H,2,4H2,1H3.
What are the key properties of 4,4,4-trifluoro-N-methyl-1-thiophen-3-ylbutan-1-amine?
4,4,4-trifluoro-N-methyl-1-thiophen-3-ylbutan-1-amine has a molecular weight of 223.26 g/mol, XLogP of 3.35, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,4-trifluoro-N-methyl-1-thiophen-3-ylbutan-1-amine is sourced from PubChem (CID 64567206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).