2,2,2-trifluoroethanol

C2H3F3O — CID 6409

IUPAC2,2,2-trifluoroethanol
SMILESOCC(F)(F)F
InChIInChI=1S/C2H3F3O/c3-2(4,5)1-6/h6H,1H2
InChIKeyRHQDFWAXVIIEBN-UHFFFAOYSA-N
MW100.04 g/mol
LogP0.54
Rot. Bonds

About 2,2,2-trifluoroethanol

2,2,2-trifluoroethanol (PubChem CID 6409) has the molecular formula C2H3F3O and a molecular weight of 100.04 g/mol. Its IUPAC name is 2,2,2-trifluoroethanol.

Molecular Properties

Compound Name2,2,2-trifluoroethanol
PubChem CID6409
Molecular FormulaC2H3F3O
Molecular Weight100.04 g/mol
Exact Mass100.01
IUPAC Name2,2,2-trifluoroethanol
SMILESOCC(F)(F)F
InChIInChI=1S/C2H3F3O/c3-2(4,5)1-6/h6H,1H2
InChIKeyRHQDFWAXVIIEBN-UHFFFAOYSA-N
XLogP0.54
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500100.04
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2,2-Difluoroethan-1-ol
CID 136187
(1,1-2H2)-2,2,2-Trifluoroetane-1-(2H)ol
CID 2724851
2,2,2-Trifluoroethan(ol-d)
CID 12255975
2,2,2-Trifluoroethanol-1,1-d2
CID 12255976
1,2,2-Trifluoroethanol
CID 17896683
1,2,2,2-Tetrafluoroethanol
CID 19350069
1,2-Difluorethanol
CID 21652117
Trifluoroethanol-water
CID 87521027
2,2-Difluoroethene-1-ol
CID 22970076
Rutherfordium;2,2,2-trifluoroethanol
CID 59890193
Rutherfordium;1,2,2,2-tetrafluoroethanol
CID 59927744
2,2,2-Trifluoroethanol sodium salt
CID 86742142

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoroethanol?
The IUPAC name of 2,2,2-trifluoroethanol (CID 6409) is 2,2,2-trifluoroethanol.
What is the SMILES notation for 2,2,2-trifluoroethanol?
The canonical SMILES for 2,2,2-trifluoroethanol is OCC(F)(F)F.
What is the InChIKey of 2,2,2-trifluoroethanol?
The InChIKey is RHQDFWAXVIIEBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H3F3O/c3-2(4,5)1-6/h6H,1H2.
What are the key properties of 2,2,2-trifluoroethanol?
2,2,2-trifluoroethanol has a molecular weight of 100.04 g/mol, XLogP of 0.54, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoroethanol is sourced from PubChem (CID 6409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).