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

C5H9F3O2 — CID 102380901

IUPAC3,3,3-trifluoro-2-methoxy-2-methylpropan-1-ol
SMILESCOC(C)(CO)C(F)(F)F
InChIInChI=1S/C5H9F3O2/c1-4(3-9,10-2)5(6,7)8/h9H,3H2,1-2H3
InChIKeyVXHRBHQFIHYQNV-UHFFFAOYSA-N
MW158.12 g/mol
LogP0.95
Rot. Bonds2

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

3,3,3-trifluoro-2-methoxy-2-methylpropan-1-ol (PubChem CID 102380901) has the molecular formula C5H9F3O2 and a molecular weight of 158.12 g/mol. Its IUPAC name is 3,3,3-trifluoro-2-methoxy-2-methylpropan-1-ol.

Molecular Properties

Compound Name3,3,3-trifluoro-2-methoxy-2-methylpropan-1-ol
PubChem CID102380901
Molecular FormulaC5H9F3O2
Molecular Weight158.12 g/mol
Exact Mass158.06
IUPAC Name3,3,3-trifluoro-2-methoxy-2-methylpropan-1-ol
SMILESCOC(C)(CO)C(F)(F)F
InChIInChI=1S/C5H9F3O2/c1-4(3-9,10-2)5(6,7)8/h9H,3H2,1-2H3
InChIKeyVXHRBHQFIHYQNV-UHFFFAOYSA-N
XLogP0.95
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.12
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methoxy-2-methylpropane;2,2,2-trifluoroethanol
CID 156562872
(2S)-3,3,3-trifluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)-2-methylpropan-1-ol
CID 98117480
4,4,4-trifluoro-3-methoxy-3-methylbutanoic acid
CID 105441958
3,3,3-trifluoro-2-methoxy-N,2-dimethylpropan-1-amine
CID 105434677
3,3,3-trifluoro-2,2-dimethylpropan-1-ol
CID 59951355
2-methyl-2-(trifluoromethyl)propane-1,3-diol
CID 118400148
2,3-difluoro-2,3-dimethoxybutane
CID 174333179
(2S)-2-amino-3,3,3-trifluoro-2-methylpropan-1-ol
CID 96565633
1,1,1-trifluoro-2-methoxy-2-methylpropane
CID 21360384
2,2-dimethylpropan-1-ol;ethane;1,1,1-trifluoroethane
CID 159215463
2,2,2-trimethoxyethanol;zirconium
CID 87320991
3,3-difluoro-2,2-dimethylbutan-1-ol
CID 118052047

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-2-methoxy-2-methylpropan-1-ol?
The IUPAC name of 3,3,3-trifluoro-2-methoxy-2-methylpropan-1-ol (CID 102380901) is 3,3,3-trifluoro-2-methoxy-2-methylpropan-1-ol.
What is the SMILES notation for 3,3,3-trifluoro-2-methoxy-2-methylpropan-1-ol?
The canonical SMILES for 3,3,3-trifluoro-2-methoxy-2-methylpropan-1-ol is COC(C)(CO)C(F)(F)F.
What is the InChIKey of 3,3,3-trifluoro-2-methoxy-2-methylpropan-1-ol?
The InChIKey is VXHRBHQFIHYQNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9F3O2/c1-4(3-9,10-2)5(6,7)8/h9H,3H2,1-2H3.
What are the key properties of 3,3,3-trifluoro-2-methoxy-2-methylpropan-1-ol?
3,3,3-trifluoro-2-methoxy-2-methylpropan-1-ol has a molecular weight of 158.12 g/mol, XLogP of 0.95, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-2-methoxy-2-methylpropan-1-ol is sourced from PubChem (CID 102380901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).