4,4,4-trifluoro-1-thiophen-3-ylbutan-2-ol

C8H9F3OS — CID 62607844

IUPAC4,4,4-trifluoro-1-thiophen-3-ylbutan-2-ol
SMILESOC(Cc1ccsc1)CC(F)(F)F
InChIInChI=1S/C8H9F3OS/c9-8(10,11)4-7(12)3-6-1-2-13-5-6/h1-2,5,7,12H,3-4H2
InChIKeyUZYWJNFUXGKUDJ-UHFFFAOYSA-N
MW210.22 g/mol
LogP2.60
Rot. Bonds3

About 4,4,4-trifluoro-1-thiophen-3-ylbutan-2-ol

4,4,4-trifluoro-1-thiophen-3-ylbutan-2-ol (PubChem CID 62607844) 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-2-ol.

Molecular Properties

Compound Name4,4,4-trifluoro-1-thiophen-3-ylbutan-2-ol
PubChem CID62607844
Molecular FormulaC8H9F3OS
Molecular Weight210.22 g/mol
Exact Mass210.03
IUPAC Name4,4,4-trifluoro-1-thiophen-3-ylbutan-2-ol
SMILESOC(Cc1ccsc1)CC(F)(F)F
InChIInChI=1S/C8H9F3OS/c9-8(10,11)4-7(12)3-6-1-2-13-5-6/h1-2,5,7,12H,3-4H2
InChIKeyUZYWJNFUXGKUDJ-UHFFFAOYSA-N
XLogP2.60
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 ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4,4,4-trifluoro-1-thiophen-3-ylbutan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-thiophen-3-yl-3-[4-(trifluoromethyl)phenyl]propan-2-ol
CID 115788878
1-(4-iodophenyl)-3-thiophen-3-ylpropan-2-ol
CID 105101095
1-(dimethylamino)-3-thiophen-3-ylpropan-2-ol
CID 79087960
(2R)-1,1,1-trifluoro-3-thiophen-3-ylpropan-2-amine
CID 94413392
4,4,4-trifluoro-1-(4-iodophenyl)butan-2-ol
CID 65478092
1-(1-adamantyl)-3-thiophen-3-ylpropan-2-ol
CID 79987085
4-methoxy-1-thiophen-3-ylbutan-2-ol
CID 62606552
3-methyl-1-thiophen-3-ylbutan-2-ol
CID 62605936
1-thiophen-3-ylbutane-2,3-diol
CID 103452838
1-thiophen-3-yltetradecan-2-ol
CID 105090220
3-(2-fluoropropyl)thiophene
CID 74766003
1-(2-methylphenyl)-3-thiophen-3-ylpropan-2-ol
CID 62607480

Frequently Asked Questions

What is the IUPAC name of 4,4,4-trifluoro-1-thiophen-3-ylbutan-2-ol?
The IUPAC name of 4,4,4-trifluoro-1-thiophen-3-ylbutan-2-ol (CID 62607844) is 4,4,4-trifluoro-1-thiophen-3-ylbutan-2-ol.
What is the SMILES notation for 4,4,4-trifluoro-1-thiophen-3-ylbutan-2-ol?
The canonical SMILES for 4,4,4-trifluoro-1-thiophen-3-ylbutan-2-ol is OC(Cc1ccsc1)CC(F)(F)F.
What is the InChIKey of 4,4,4-trifluoro-1-thiophen-3-ylbutan-2-ol?
The InChIKey is UZYWJNFUXGKUDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F3OS/c9-8(10,11)4-7(12)3-6-1-2-13-5-6/h1-2,5,7,12H,3-4H2.
What are the key properties of 4,4,4-trifluoro-1-thiophen-3-ylbutan-2-ol?
4,4,4-trifluoro-1-thiophen-3-ylbutan-2-ol has a molecular weight of 210.22 g/mol, XLogP of 2.60, 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-2-ol is sourced from PubChem (CID 62607844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).