1-(3-chlorothiophen-2-yl)-4,4,4-trifluorobutan-1-amine

C8H9ClF3NS — CID 80530078

IUPAC1-(3-chlorothiophen-2-yl)-4,4,4-trifluorobutan-1-amine
SMILESNC(CCC(F)(F)F)c1sccc1Cl
InChIInChI=1S/C8H9ClF3NS/c9-5-2-4-14-7(5)6(13)1-3-8(10,11)12/h2,4,6H,1,3,13H2
InChIKeyOGEOQBDTTWDRNX-UHFFFAOYSA-N
MW243.68 g/mol
LogP3.74
Rot. Bonds3

About 1-(3-chlorothiophen-2-yl)-4,4,4-trifluorobutan-1-amine

1-(3-chlorothiophen-2-yl)-4,4,4-trifluorobutan-1-amine (PubChem CID 80530078) has the molecular formula C8H9ClF3NS and a molecular weight of 243.68 g/mol. Its IUPAC name is 1-(3-chlorothiophen-2-yl)-4,4,4-trifluorobutan-1-amine.

Molecular Properties

Compound Name1-(3-chlorothiophen-2-yl)-4,4,4-trifluorobutan-1-amine
PubChem CID80530078
Molecular FormulaC8H9ClF3NS
Molecular Weight243.68 g/mol
Exact Mass243.01
IUPAC Name1-(3-chlorothiophen-2-yl)-4,4,4-trifluorobutan-1-amine
SMILESNC(CCC(F)(F)F)c1sccc1Cl
InChIInChI=1S/C8H9ClF3NS/c9-5-2-4-14-7(5)6(13)1-3-8(10,11)12/h2,4,6H,1,3,13H2
InChIKeyOGEOQBDTTWDRNX-UHFFFAOYSA-N
XLogP3.74
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.68
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-1-(3-chlorothiophen-2-yl)-2-fluoroethanamine
CID 130714620
(1S)-4,4,4-trifluoro-1-(3-methylthiophen-2-yl)butan-1-amine;hydrochloride
CID 171222723
4,4,4-trifluoro-1-(3-methoxythiophen-2-yl)butan-1-amine
CID 104992725
1-(3-chlorothiophen-2-yl)-3-methylsulfanylpropan-1-amine
CID 107361723
1-(3-chlorothiophen-2-yl)heptan-1-amine
CID 114752614
(1S)-1-(3-chlorothiophen-2-yl)but-3-en-1-amine;hydrochloride
CID 171222754
1-(3-chlorothiophen-2-yl)hex-4-yn-1-amine
CID 105037487
1-(3-chlorothiophen-2-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-amine
CID 103309707
(1R)-1-(3-chlorothiophen-2-yl)-2-methoxyethanamine
CID 130987016
(1S)-1-(2-chlorophenyl)-4,4,4-trifluorobutan-1-amine;hydrochloride
CID 171231678
[1-(3-chlorothiophen-2-yl)-3,3,3-trifluoropropyl]hydrazine
CID 107362011
1-(3-chlorothiophen-2-yl)-2-[(2-methylpropan-2-yl)oxy]ethanamine
CID 107361905

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorothiophen-2-yl)-4,4,4-trifluorobutan-1-amine?
The IUPAC name of 1-(3-chlorothiophen-2-yl)-4,4,4-trifluorobutan-1-amine (CID 80530078) is 1-(3-chlorothiophen-2-yl)-4,4,4-trifluorobutan-1-amine.
What is the SMILES notation for 1-(3-chlorothiophen-2-yl)-4,4,4-trifluorobutan-1-amine?
The canonical SMILES for 1-(3-chlorothiophen-2-yl)-4,4,4-trifluorobutan-1-amine is NC(CCC(F)(F)F)c1sccc1Cl.
What is the InChIKey of 1-(3-chlorothiophen-2-yl)-4,4,4-trifluorobutan-1-amine?
The InChIKey is OGEOQBDTTWDRNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClF3NS/c9-5-2-4-14-7(5)6(13)1-3-8(10,11)12/h2,4,6H,1,3,13H2.
What are the key properties of 1-(3-chlorothiophen-2-yl)-4,4,4-trifluorobutan-1-amine?
1-(3-chlorothiophen-2-yl)-4,4,4-trifluorobutan-1-amine has a molecular weight of 243.68 g/mol, XLogP of 3.74, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorothiophen-2-yl)-4,4,4-trifluorobutan-1-amine is sourced from PubChem (CID 80530078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).