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

C8H10F3NS — CID 64567617

IUPAC4,4,4-trifluoro-1-thiophen-3-ylbutan-1-amine
SMILESNC(CCC(F)(F)F)c1ccsc1
InChIInChI=1S/C8H10F3NS/c9-8(10,11)3-1-7(12)6-2-4-13-5-6/h2,4-5,7H,1,3,12H2
InChIKeyQUIDDICXKHOYCP-UHFFFAOYSA-N
MW209.24 g/mol
LogP3.09
Rot. Bonds3

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

4,4,4-trifluoro-1-thiophen-3-ylbutan-1-amine (PubChem CID 64567617) has the molecular formula C8H10F3NS and a molecular weight of 209.24 g/mol. Its IUPAC name is 4,4,4-trifluoro-1-thiophen-3-ylbutan-1-amine.

Molecular Properties

Compound Name4,4,4-trifluoro-1-thiophen-3-ylbutan-1-amine
PubChem CID64567617
Molecular FormulaC8H10F3NS
Molecular Weight209.24 g/mol
Exact Mass209.05
IUPAC Name4,4,4-trifluoro-1-thiophen-3-ylbutan-1-amine
SMILESNC(CCC(F)(F)F)c1ccsc1
InChIInChI=1S/C8H10F3NS/c9-8(10,11)3-1-7(12)6-2-4-13-5-6/h2,4-5,7H,1,3,12H2
InChIKeyQUIDDICXKHOYCP-UHFFFAOYSA-N
XLogP3.09
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.24
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-3,3,3-trifluoro-1-thiophen-3-ylpropan-1-amine
CID 55296383
4,4,4-trifluoro-1-thiophen-3-ylbutan-1-ol
CID 64565518
(3R)-3-amino-3-thiophen-3-ylpropan-1-ol
CID 1487793
(5,5,5-trifluoro-1-thiophen-3-ylpentyl)hydrazine
CID 105196769
2,2,2-trifluoro-1-thiophen-3-ylethanamine
CID 46785673
(1S)-3,3-difluoro-1-thiophen-3-ylpropan-1-amine;hydrochloride
CID 171313205
1-thiophen-3-ylhexan-1-amine;hydrochloride
CID 86262846
(1R)-1-thiophen-3-ylpropan-1-amine;hydrochloride
CID 171210593
(5R)-5-amino-5-thiophen-3-ylpentanoic acid
CID 55264344
(1R)-4,4,4-trifluoro-1-[4-(trifluoromethylsulfanyl)phenyl]butan-1-amine
CID 171207253
3-amino-3-thiophen-3-ylpropanenitrile
CID 55293748
5-[(1R)-1-amino-4,4,4-trifluorobutyl]benzene-1,3-diol;hydrochloride
CID 171199900

Frequently Asked Questions

What is the IUPAC name of 4,4,4-trifluoro-1-thiophen-3-ylbutan-1-amine?
The IUPAC name of 4,4,4-trifluoro-1-thiophen-3-ylbutan-1-amine (CID 64567617) is 4,4,4-trifluoro-1-thiophen-3-ylbutan-1-amine.
What is the SMILES notation for 4,4,4-trifluoro-1-thiophen-3-ylbutan-1-amine?
The canonical SMILES for 4,4,4-trifluoro-1-thiophen-3-ylbutan-1-amine is NC(CCC(F)(F)F)c1ccsc1.
What is the InChIKey of 4,4,4-trifluoro-1-thiophen-3-ylbutan-1-amine?
The InChIKey is QUIDDICXKHOYCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3NS/c9-8(10,11)3-1-7(12)6-2-4-13-5-6/h2,4-5,7H,1,3,12H2.
What are the key properties of 4,4,4-trifluoro-1-thiophen-3-ylbutan-1-amine?
4,4,4-trifluoro-1-thiophen-3-ylbutan-1-amine has a molecular weight of 209.24 g/mol, XLogP of 3.09, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,4-trifluoro-1-thiophen-3-ylbutan-1-amine is sourced from PubChem (CID 64567617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).