3-(5-chlorothiophen-3-yl)-1,1,1-trifluoropropan-2-ol

C7H6ClF3OS — CID 131116028

IUPAC3-(5-chlorothiophen-3-yl)-1,1,1-trifluoropropan-2-ol
SMILESOC(Cc1csc(Cl)c1)C(F)(F)F
InChIInChI=1S/C7H6ClF3OS/c8-6-2-4(3-13-6)1-5(12)7(9,10)11/h2-3,5,12H,1H2
InChIKeyQIQTXJCDROMIKZ-UHFFFAOYSA-N
MW230.64 g/mol
LogP2.87
Rot. Bonds2

About 3-(5-chlorothiophen-3-yl)-1,1,1-trifluoropropan-2-ol

3-(5-chlorothiophen-3-yl)-1,1,1-trifluoropropan-2-ol (PubChem CID 131116028) has the molecular formula C7H6ClF3OS and a molecular weight of 230.64 g/mol. Its IUPAC name is 3-(5-chlorothiophen-3-yl)-1,1,1-trifluoropropan-2-ol.

Molecular Properties

Compound Name3-(5-chlorothiophen-3-yl)-1,1,1-trifluoropropan-2-ol
PubChem CID131116028
Molecular FormulaC7H6ClF3OS
Molecular Weight230.64 g/mol
Exact Mass229.98
IUPAC Name3-(5-chlorothiophen-3-yl)-1,1,1-trifluoropropan-2-ol
SMILESOC(Cc1csc(Cl)c1)C(F)(F)F
InChIInChI=1S/C7H6ClF3OS/c8-6-2-4(3-13-6)1-5(12)7(9,10)11/h2-3,5,12H,1H2
InChIKeyQIQTXJCDROMIKZ-UHFFFAOYSA-N
XLogP2.87
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.64
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-(5-chlorothiophen-3-yl)-1,1,1-trifluoropropan-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

2-(2-Chlorothiophen-3-yl)ethan-1-ol
CID 19359683
1-(5-Chlorothiophen-3-yl)ethanol
CID 72207441
2-(5-Chlorothiophen-3-yl)-2,2-difluoroethan-1-ol
CID 132566149
1-(2,5-Dichlorothiophen-3-yl)-2,2,3,3,3-pentafluoropropan-1-ol
CID 61080477
1-(2,5-Dichlorothiophen-3-yl)-2,2,2-trifluoroethanol
CID 61081026
1-(2,5-Dichlorothiophen-3-yl)-3,3,3-trifluoropropan-1-ol
CID 61082212
4,4,4-Trifluoro-1-thiophen-3-ylbutan-2-ol
CID 62607844
1,1,1-Trifluoro-3-(thiophen-3-yl)propan-2-ol
CID 62961525
1-(2,5-Dichlorothiophen-3-yl)-4,4,4-trifluorobutan-1-ol
CID 65715626
1-(2,5-Dichlorothiophen-3-yl)-2,2,3,3-tetrafluoropropan-1-ol
CID 79660188
1-(2,5-Dichlorothiophen-3-yl)-3-(2,2-difluoroethoxy)propan-1-ol
CID 103210192
1-(2,5-Dichlorothiophen-3-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-ol
CID 103310565

Frequently Asked Questions

What is the IUPAC name of 3-(5-chlorothiophen-3-yl)-1,1,1-trifluoropropan-2-ol?
The IUPAC name of 3-(5-chlorothiophen-3-yl)-1,1,1-trifluoropropan-2-ol (CID 131116028) is 3-(5-chlorothiophen-3-yl)-1,1,1-trifluoropropan-2-ol.
What is the SMILES notation for 3-(5-chlorothiophen-3-yl)-1,1,1-trifluoropropan-2-ol?
The canonical SMILES for 3-(5-chlorothiophen-3-yl)-1,1,1-trifluoropropan-2-ol is OC(Cc1csc(Cl)c1)C(F)(F)F.
What is the InChIKey of 3-(5-chlorothiophen-3-yl)-1,1,1-trifluoropropan-2-ol?
The InChIKey is QIQTXJCDROMIKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6ClF3OS/c8-6-2-4(3-13-6)1-5(12)7(9,10)11/h2-3,5,12H,1H2.
What are the key properties of 3-(5-chlorothiophen-3-yl)-1,1,1-trifluoropropan-2-ol?
3-(5-chlorothiophen-3-yl)-1,1,1-trifluoropropan-2-ol has a molecular weight of 230.64 g/mol, XLogP of 2.87, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chlorothiophen-3-yl)-1,1,1-trifluoropropan-2-ol is sourced from PubChem (CID 131116028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).