3-ethoxy-1,1,1-trifluoro-2-methylpropan-2-ol

C6H11F3O2 — CID 58104815

IUPAC3-ethoxy-1,1,1-trifluoro-2-methylpropan-2-ol
SMILESCCOCC(C)(O)C(F)(F)F
InChIInChI=1S/C6H11F3O2/c1-3-11-4-5(2,10)6(7,8)9/h10H,3-4H2,1-2H3
InChIKeyOQTBZGOTLAHFSD-UHFFFAOYSA-N
MW172.15 g/mol
LogP1.34
Rot. Bonds3

About 3-ethoxy-1,1,1-trifluoro-2-methylpropan-2-ol

3-ethoxy-1,1,1-trifluoro-2-methylpropan-2-ol (PubChem CID 58104815) has the molecular formula C6H11F3O2 and a molecular weight of 172.15 g/mol. Its IUPAC name is 3-ethoxy-1,1,1-trifluoro-2-methylpropan-2-ol.

Molecular Properties

Compound Name3-ethoxy-1,1,1-trifluoro-2-methylpropan-2-ol
PubChem CID58104815
Molecular FormulaC6H11F3O2
Molecular Weight172.15 g/mol
Exact Mass172.07
IUPAC Name3-ethoxy-1,1,1-trifluoro-2-methylpropan-2-ol
SMILESCCOCC(C)(O)C(F)(F)F
InChIInChI=1S/C6H11F3O2/c1-3-11-4-5(2,10)6(7,8)9/h10H,3-4H2,1-2H3
InChIKeyOQTBZGOTLAHFSD-UHFFFAOYSA-N
XLogP1.34
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.15
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-Propanol, 3-ethoxy-1,1,1-trifluoro-, (2S)-
CID 10261342
1,1,1-Trifluoro-3-methoxy-2-methylpropan-2-ol
CID 20776568
(2R)-1-fluoro-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
CID 59721759
1-Ethoxy-3,3,3-trifluoro-2-propanol
CID 22913202
2-[3-(Trifluoromethyl)oxetan-3-yl]oxyethanol
CID 162404629
1-Ethoxy-2-methyl-2-propanol
CID 20202693
1,1,1,3,3,3-Hexafluoro-2-(methoxymethyl)-2-propanol
CID 12023675
1-(1,2,2-Trifluoroethoxy)propan-2-ol
CID 19828965
1-(2,2,2-Trifluoroethoxy)propan-2-ol
CID 19828980
2-(Ethoxymethyl)-1,1,1,3,3,3-hexafluoropropan-2-ol
CID 20776569
3-Butan-2-yloxy-1,1,1-trifluoropropan-2-ol
CID 21353311
2-((1,1,1,3,3,3-Hexafluoro-2-(trifluoromethyl)propan-2-YL)oxy)ethan-1-OL
CID 21511552

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-1,1,1-trifluoro-2-methylpropan-2-ol?
The IUPAC name of 3-ethoxy-1,1,1-trifluoro-2-methylpropan-2-ol (CID 58104815) is 3-ethoxy-1,1,1-trifluoro-2-methylpropan-2-ol.
What is the SMILES notation for 3-ethoxy-1,1,1-trifluoro-2-methylpropan-2-ol?
The canonical SMILES for 3-ethoxy-1,1,1-trifluoro-2-methylpropan-2-ol is CCOCC(C)(O)C(F)(F)F.
What is the InChIKey of 3-ethoxy-1,1,1-trifluoro-2-methylpropan-2-ol?
The InChIKey is OQTBZGOTLAHFSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11F3O2/c1-3-11-4-5(2,10)6(7,8)9/h10H,3-4H2,1-2H3.
What are the key properties of 3-ethoxy-1,1,1-trifluoro-2-methylpropan-2-ol?
3-ethoxy-1,1,1-trifluoro-2-methylpropan-2-ol has a molecular weight of 172.15 g/mol, XLogP of 1.34, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-1,1,1-trifluoro-2-methylpropan-2-ol is sourced from PubChem (CID 58104815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).