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

C6H5F3OS — CID 10954147

IUPAC2,2,2-trifluoro-1-thiophen-2-ylethanol
SMILESOC(c1cccs1)C(F)(F)F
InChIInChI=1S/C6H5F3OS/c7-6(8,9)5(10)4-2-1-3-11-4/h1-3,5,10H
InChIKeyHFMKQZZXASNEDP-UHFFFAOYSA-N
MW182.17 g/mol
LogP2.34
Rot. Bonds1

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

2,2,2-trifluoro-1-thiophen-2-ylethanol (PubChem CID 10954147) has the molecular formula C6H5F3OS and a molecular weight of 182.17 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-thiophen-2-ylethanol.

Molecular Properties

Compound Name2,2,2-trifluoro-1-thiophen-2-ylethanol
PubChem CID10954147
Molecular FormulaC6H5F3OS
Molecular Weight182.17 g/mol
Exact Mass182.00
IUPAC Name2,2,2-trifluoro-1-thiophen-2-ylethanol
SMILESOC(c1cccs1)C(F)(F)F
InChIInChI=1S/C6H5F3OS/c7-6(8,9)5(10)4-2-1-3-11-4/h1-3,5,10H
InChIKeyHFMKQZZXASNEDP-UHFFFAOYSA-N
XLogP2.34
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
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

2,2-difluoro-3-hydroxy-3-thiophen-2-ylpropanehydrazide
CID 86748367
1,2-dithiophen-2-ylethane-1,2-diol
CID 11128014
2,2-dimethyl-1-thiophen-2-ylbutan-1-ol
CID 62677118
3-amino-2,2-dimethyl-1-thiophen-2-ylpropan-1-ol
CID 79135544
copper;4,4,4-trifluoro-1-thiophen-2-ylbutane-1,3-diol;bis(triphenylphosphanium)
CID 6394941
2,2,2-trifluoro-1-(5-propan-2-ylthiophen-2-yl)ethanol
CID 137411203
3,3-dimethyl-1-thiophen-2-ylbutane-1,2-diol
CID 103457313
2,2-difluoro-1-thiophen-2-ylpropan-1-amine
CID 131209587
[5-[hydroxy(thiophen-2-yl)methyl]thiophen-2-yl]-thiophen-2-ylmethanol
CID 11197598
thiophen-2-yl-[4-(trifluoromethoxy)phenyl]methanol
CID 63893402
1,1,1,4,4,4-hexafluoro-2-thiophen-2-ylbutane-2,3-diol
CID 10779091
2-propan-2-ylthiophene
CID 178128598

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-1-thiophen-2-ylethanol?
The IUPAC name of 2,2,2-trifluoro-1-thiophen-2-ylethanol (CID 10954147) is 2,2,2-trifluoro-1-thiophen-2-ylethanol.
What is the SMILES notation for 2,2,2-trifluoro-1-thiophen-2-ylethanol?
The canonical SMILES for 2,2,2-trifluoro-1-thiophen-2-ylethanol is OC(c1cccs1)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-1-thiophen-2-ylethanol?
The InChIKey is HFMKQZZXASNEDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5F3OS/c7-6(8,9)5(10)4-2-1-3-11-4/h1-3,5,10H.
What are the key properties of 2,2,2-trifluoro-1-thiophen-2-ylethanol?
2,2,2-trifluoro-1-thiophen-2-ylethanol has a molecular weight of 182.17 g/mol, XLogP of 2.34, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-1-thiophen-2-ylethanol is sourced from PubChem (CID 10954147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).