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

C8H9F3OS — CID 64565518

IUPAC4,4,4-trifluoro-1-thiophen-3-ylbutan-1-ol
SMILESOC(CCC(F)(F)F)c1ccsc1
InChIInChI=1S/C8H9F3OS/c9-8(10,11)3-1-7(12)6-2-4-13-5-6/h2,4-5,7,12H,1,3H2
InChIKeyZMFFZGDQPYWUCT-UHFFFAOYSA-N
MW210.22 g/mol
LogP3.12
Rot. Bonds3

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

4,4,4-trifluoro-1-thiophen-3-ylbutan-1-ol (PubChem CID 64565518) has the molecular formula C8H9F3OS and a molecular weight of 210.22 g/mol. Its IUPAC name is 4,4,4-trifluoro-1-thiophen-3-ylbutan-1-ol.

Molecular Properties

Compound Name4,4,4-trifluoro-1-thiophen-3-ylbutan-1-ol
PubChem CID64565518
Molecular FormulaC8H9F3OS
Molecular Weight210.22 g/mol
Exact Mass210.03
IUPAC Name4,4,4-trifluoro-1-thiophen-3-ylbutan-1-ol
SMILESOC(CCC(F)(F)F)c1ccsc1
InChIInChI=1S/C8H9F3OS/c9-8(10,11)3-1-7(12)6-2-4-13-5-6/h2,4-5,7,12H,1,3H2
InChIKeyZMFFZGDQPYWUCT-UHFFFAOYSA-N
XLogP3.12
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.22
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluoro-1-thiophen-3-ylnonan-1-ol
CID 11091777
1-thiophen-3-yl-2-(4,4,4-trifluorobutylamino)ethanol
CID 106435115
4,4,4-trifluoro-1-thiophen-3-ylbutan-1-amine
CID 64567617
(5,5,5-trifluoro-1-thiophen-3-ylpentyl)hydrazine
CID 105196769
3-amino-1-thiophen-3-ylpropan-1-ol
CID 65185005
5-methyl-1-thiophen-3-ylhexan-1-ol
CID 83158063
3-methoxy-1-thiophen-3-ylpropan-1-ol
CID 62608736
1-(5-bromothiophen-3-yl)-4,4,4-trifluorobutan-1-ol
CID 105104586
1-thiophen-3-yl-2-[(3,3,3-trifluoro-1-phenylpropyl)amino]ethanol
CID 106434786
1-thiophen-3-yl-2-[2-(trifluoromethoxy)ethylamino]ethanol
CID 106435353
(1S)-3,3,3-trifluoro-1-thiophen-3-ylpropan-1-amine
CID 55296383
1-(4-ethylsulfanylphenyl)-4,4,4-trifluorobutan-1-ol
CID 106848279

Frequently Asked Questions

What is the IUPAC name of 4,4,4-trifluoro-1-thiophen-3-ylbutan-1-ol?
The IUPAC name of 4,4,4-trifluoro-1-thiophen-3-ylbutan-1-ol (CID 64565518) is 4,4,4-trifluoro-1-thiophen-3-ylbutan-1-ol.
What is the SMILES notation for 4,4,4-trifluoro-1-thiophen-3-ylbutan-1-ol?
The canonical SMILES for 4,4,4-trifluoro-1-thiophen-3-ylbutan-1-ol is OC(CCC(F)(F)F)c1ccsc1.
What is the InChIKey of 4,4,4-trifluoro-1-thiophen-3-ylbutan-1-ol?
The InChIKey is ZMFFZGDQPYWUCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F3OS/c9-8(10,11)3-1-7(12)6-2-4-13-5-6/h2,4-5,7,12H,1,3H2.
What are the key properties of 4,4,4-trifluoro-1-thiophen-3-ylbutan-1-ol?
4,4,4-trifluoro-1-thiophen-3-ylbutan-1-ol has a molecular weight of 210.22 g/mol, XLogP of 3.12, 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-ol is sourced from PubChem (CID 64565518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).