5,5,5-trifluoro-N-(1-thiophen-2-ylethyl)pentan-1-amine

C11H16F3NS — CID 115516778

IUPAC5,5,5-trifluoro-N-(1-thiophen-2-ylethyl)pentan-1-amine
SMILESCC(NCCCCC(F)(F)F)c1cccs1
InChIInChI=1S/C11H16F3NS/c1-9(10-5-4-8-16-10)15-7-3-2-6-11(12,13)14/h4-5,8-9,15H,2-3,6-7H2,1H3
InChIKeyNCJMMNRTLPKYEB-UHFFFAOYSA-N
MW251.32 g/mol
LogP4.13
Rot. Bonds6

About 5,5,5-trifluoro-N-(1-thiophen-2-ylethyl)pentan-1-amine

5,5,5-trifluoro-N-(1-thiophen-2-ylethyl)pentan-1-amine (PubChem CID 115516778) has the molecular formula C11H16F3NS and a molecular weight of 251.32 g/mol. Its IUPAC name is 5,5,5-trifluoro-N-(1-thiophen-2-ylethyl)pentan-1-amine.

Molecular Properties

Compound Name5,5,5-trifluoro-N-(1-thiophen-2-ylethyl)pentan-1-amine
PubChem CID115516778
Molecular FormulaC11H16F3NS
Molecular Weight251.32 g/mol
Exact Mass251.10
IUPAC Name5,5,5-trifluoro-N-(1-thiophen-2-ylethyl)pentan-1-amine
SMILESCC(NCCCCC(F)(F)F)c1cccs1
InChIInChI=1S/C11H16F3NS/c1-9(10-5-4-8-16-10)15-7-3-2-6-11(12,13)14/h4-5,8-9,15H,2-3,6-7H2,1H3
InChIKeyNCJMMNRTLPKYEB-UHFFFAOYSA-N
XLogP4.13
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.32
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-fluoro-N-[(1R)-1-thiophen-2-ylethyl]propan-1-amine
CID 81408503
N-[(1R)-1-thiophen-2-ylethyl]heptan-1-amine
CID 81398404
1-thiophen-2-yl-N-[2-(trifluoromethylsulfanyl)ethyl]ethanamine
CID 115710733
(1S)-1-thiophen-2-yl-N-[2-(trifluoromethylsulfanyl)ethyl]ethanamine
CID 104891288
5-[[(1S)-1-thiophen-2-ylethyl]amino]pentan-1-ol
CID 81408361
5,5,5-trifluoro-N-[1-(1,3-thiazol-5-yl)ethyl]pentan-1-amine
CID 115895753
3,3-dimethyl-N-[(1S)-1-thiophen-2-ylethyl]butan-1-amine
CID 81398667
4-methyl-N-[(1S)-1-thiophen-2-ylethyl]pentan-1-amine
CID 83156028
N-[1-(5-ethylthiophen-2-yl)ethyl]-5,5,5-trifluoropentan-1-amine
CID 113327120
N'-hydroxy-2,2-dimethyl-6-[[(1S)-1-thiophen-2-ylethyl]amino]hexanimidamide
CID 106711482
N'-hydroxy-2,2-dimethyl-6-[[(1R)-1-thiophen-2-ylethyl]amino]hexanimidamide
CID 106711483
N'-methyl-N-(1-thiophen-2-ylethyl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 62561217

Frequently Asked Questions

What is the IUPAC name of 5,5,5-trifluoro-N-(1-thiophen-2-ylethyl)pentan-1-amine?
The IUPAC name of 5,5,5-trifluoro-N-(1-thiophen-2-ylethyl)pentan-1-amine (CID 115516778) is 5,5,5-trifluoro-N-(1-thiophen-2-ylethyl)pentan-1-amine.
What is the SMILES notation for 5,5,5-trifluoro-N-(1-thiophen-2-ylethyl)pentan-1-amine?
The canonical SMILES for 5,5,5-trifluoro-N-(1-thiophen-2-ylethyl)pentan-1-amine is CC(NCCCCC(F)(F)F)c1cccs1.
What is the InChIKey of 5,5,5-trifluoro-N-(1-thiophen-2-ylethyl)pentan-1-amine?
The InChIKey is NCJMMNRTLPKYEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3NS/c1-9(10-5-4-8-16-10)15-7-3-2-6-11(12,13)14/h4-5,8-9,15H,2-3,6-7H2,1H3.
What are the key properties of 5,5,5-trifluoro-N-(1-thiophen-2-ylethyl)pentan-1-amine?
5,5,5-trifluoro-N-(1-thiophen-2-ylethyl)pentan-1-amine has a molecular weight of 251.32 g/mol, XLogP of 4.13, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5,5-trifluoro-N-(1-thiophen-2-ylethyl)pentan-1-amine is sourced from PubChem (CID 115516778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).