1-(5-ethylthiophen-2-yl)-5,5,5-trifluoropentan-2-amine

C11H16F3NS — CID 79952744

IUPAC1-(5-ethylthiophen-2-yl)-5,5,5-trifluoropentan-2-amine
SMILESCCc1ccc(CC(N)CCC(F)(F)F)s1
InChIInChI=1S/C11H16F3NS/c1-2-9-3-4-10(16-9)7-8(15)5-6-11(12,13)14/h3-4,8H,2,5-7,15H2,1H3
InChIKeyBOKPIVKPUAPBKH-UHFFFAOYSA-N
MW251.32 g/mol
LogP3.52
Rot. Bonds5

About 1-(5-ethylthiophen-2-yl)-5,5,5-trifluoropentan-2-amine

1-(5-ethylthiophen-2-yl)-5,5,5-trifluoropentan-2-amine (PubChem CID 79952744) has the molecular formula C11H16F3NS and a molecular weight of 251.32 g/mol. Its IUPAC name is 1-(5-ethylthiophen-2-yl)-5,5,5-trifluoropentan-2-amine.

Molecular Properties

Compound Name1-(5-ethylthiophen-2-yl)-5,5,5-trifluoropentan-2-amine
PubChem CID79952744
Molecular FormulaC11H16F3NS
Molecular Weight251.32 g/mol
Exact Mass251.10
IUPAC Name1-(5-ethylthiophen-2-yl)-5,5,5-trifluoropentan-2-amine
SMILESCCc1ccc(CC(N)CCC(F)(F)F)s1
InChIInChI=1S/C11H16F3NS/c1-2-9-3-4-10(16-9)7-8(15)5-6-11(12,13)14/h3-4,8H,2,5-7,15H2,1H3
InChIKeyBOKPIVKPUAPBKH-UHFFFAOYSA-N
XLogP3.52
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.32
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-chlorothiophen-2-yl)-5,5,5-trifluoropentan-2-amine
CID 79952579
[1-(5-ethylthiophen-2-yl)-5,5,5-trifluoropentan-2-yl]hydrazine
CID 105249000
1-(5-ethylthiophen-2-yl)tridecan-2-amine
CID 115842421
[3-(5-ethylthiophen-2-yl)-1,1,1-trifluoropropan-2-yl]hydrazine
CID 105215725
4-[5-(2,4-diaminobutyl)thiophen-2-yl]butane-1,3-diamine
CID 91468234
1-[5-(2-aminobutyl)thiophen-2-yl]butan-2-amine;hydrochloride
CID 170888988
2-(5-ethylthiophen-2-yl)-1-[2-(trifluoromethyl)phenyl]ethanamine
CID 115842275
1-(5-ethylthiophen-2-yl)-3,3-dimethylpentan-2-amine
CID 115842630
1-(2,4-difluorophenyl)-3-(5-ethylthiophen-2-yl)propan-2-amine
CID 64561389
2,5-diethylthiophene
CID 521294
3-ethyl-1-(5-ethylthiophen-2-yl)pentan-2-amine
CID 115842663
1-(5-ethylthiophen-2-yl)-3-(4-methoxyphenyl)propan-2-amine
CID 62602516

Frequently Asked Questions

What is the IUPAC name of 1-(5-ethylthiophen-2-yl)-5,5,5-trifluoropentan-2-amine?
The IUPAC name of 1-(5-ethylthiophen-2-yl)-5,5,5-trifluoropentan-2-amine (CID 79952744) is 1-(5-ethylthiophen-2-yl)-5,5,5-trifluoropentan-2-amine.
What is the SMILES notation for 1-(5-ethylthiophen-2-yl)-5,5,5-trifluoropentan-2-amine?
The canonical SMILES for 1-(5-ethylthiophen-2-yl)-5,5,5-trifluoropentan-2-amine is CCc1ccc(CC(N)CCC(F)(F)F)s1.
What is the InChIKey of 1-(5-ethylthiophen-2-yl)-5,5,5-trifluoropentan-2-amine?
The InChIKey is BOKPIVKPUAPBKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3NS/c1-2-9-3-4-10(16-9)7-8(15)5-6-11(12,13)14/h3-4,8H,2,5-7,15H2,1H3.
What are the key properties of 1-(5-ethylthiophen-2-yl)-5,5,5-trifluoropentan-2-amine?
1-(5-ethylthiophen-2-yl)-5,5,5-trifluoropentan-2-amine has a molecular weight of 251.32 g/mol, XLogP of 3.52, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-ethylthiophen-2-yl)-5,5,5-trifluoropentan-2-amine is sourced from PubChem (CID 79952744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).