1,1,2-trifluoro-2-thiophen-2-ylethanol

C6H5F3OS — CID 20571131

IUPAC1,1,2-trifluoro-2-thiophen-2-ylethanol
SMILESOC(F)(F)C(F)c1cccs1
InChIInChI=1S/C6H5F3OS/c7-5(6(8,9)10)4-2-1-3-11-4/h1-3,5,10H
InChIKeyGBXCNADAKQLDNF-UHFFFAOYSA-N
MW182.17 g/mol
LogP2.34
Rot. Bonds2

About 1,1,2-trifluoro-2-thiophen-2-ylethanol

1,1,2-trifluoro-2-thiophen-2-ylethanol (PubChem CID 20571131) has the molecular formula C6H5F3OS and a molecular weight of 182.17 g/mol. Its IUPAC name is 1,1,2-trifluoro-2-thiophen-2-ylethanol.

Molecular Properties

Compound Name1,1,2-trifluoro-2-thiophen-2-ylethanol
PubChem CID20571131
Molecular FormulaC6H5F3OS
Molecular Weight182.17 g/mol
Exact Mass182.00
IUPAC Name1,1,2-trifluoro-2-thiophen-2-ylethanol
SMILESOC(F)(F)C(F)c1cccs1
InChIInChI=1S/C6H5F3OS/c7-5(6(8,9)10)4-2-1-3-11-4/h1-3,5,10H
InChIKeyGBXCNADAKQLDNF-UHFFFAOYSA-N
XLogP2.34
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.17
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-Thiopheneethanol
CID 79400
alpha-Methyl-2-thiopheneethanol
CID 98093
3-(Thiophen-2-yl)propan-1-ol
CID 13109866
2,2,2-Trifluoro-1-(thiophen-2-yl)ethan-1-ol
CID 10954147
1,1,1,3,3,3-Hexafluoro-2-(2-thienyl)-2-propanol
CID 19022266
5-(Trifluoromethyl)-2-thiophenemethanol
CID 53925540
(S)-1,1,1-trifluoro-2-(thiophen-2-yl)penta-3,4-dien-2-ol
CID 118988138
(2R)-2-fluoro-3-thiophen-2-ylpropan-1-ol
CID 155930775
(Z)-5-fluoro-6-thiophen-2-ylhex-5-en-1-ol
CID 177571125
2-(2-Methoxyethyl)thiophene
CID 18622374
2-Sulfanyl-2-thiophen-2-ylethanol
CID 57299342
2-Thiophen-2-ylprop-2-en-1-ol
CID 101747577

Frequently Asked Questions

What is the IUPAC name of 1,1,2-trifluoro-2-thiophen-2-ylethanol?
The IUPAC name of 1,1,2-trifluoro-2-thiophen-2-ylethanol (CID 20571131) is 1,1,2-trifluoro-2-thiophen-2-ylethanol.
What is the SMILES notation for 1,1,2-trifluoro-2-thiophen-2-ylethanol?
The canonical SMILES for 1,1,2-trifluoro-2-thiophen-2-ylethanol is OC(F)(F)C(F)c1cccs1.
What is the InChIKey of 1,1,2-trifluoro-2-thiophen-2-ylethanol?
The InChIKey is GBXCNADAKQLDNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5F3OS/c7-5(6(8,9)10)4-2-1-3-11-4/h1-3,5,10H.
What are the key properties of 1,1,2-trifluoro-2-thiophen-2-ylethanol?
1,1,2-trifluoro-2-thiophen-2-ylethanol has a molecular weight of 182.17 g/mol, XLogP of 2.34, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2-trifluoro-2-thiophen-2-ylethanol is sourced from PubChem (CID 20571131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).