(2R)-1,1,1-trifluoro-3-methoxy-2-methylpropan-2-ol

C5H9F3O2 — CID 94475320

IUPAC(2R)-1,1,1-trifluoro-3-methoxy-2-methylpropan-2-ol
SMILESCOC[C@@](C)(O)C(F)(F)F
InChIInChI=1S/C5H9F3O2/c1-4(9,3-10-2)5(6,7)8/h9H,3H2,1-2H3/t4-/m1/s1
InChIKeyNGQTWZJGHHRILI-SCSAIBSYSA-N
MW158.12 g/mol
LogP0.95
Rot. Bonds2

About (2R)-1,1,1-trifluoro-3-methoxy-2-methylpropan-2-ol

(2R)-1,1,1-trifluoro-3-methoxy-2-methylpropan-2-ol (PubChem CID 94475320) has the molecular formula C5H9F3O2 and a molecular weight of 158.12 g/mol. Its IUPAC name is (2R)-1,1,1-trifluoro-3-methoxy-2-methylpropan-2-ol.

Molecular Properties

Compound Name(2R)-1,1,1-trifluoro-3-methoxy-2-methylpropan-2-ol
PubChem CID94475320
Molecular FormulaC5H9F3O2
Molecular Weight158.12 g/mol
Exact Mass158.06
IUPAC Name(2R)-1,1,1-trifluoro-3-methoxy-2-methylpropan-2-ol
SMILESCOC[C@@](C)(O)C(F)(F)F
InChIInChI=1S/C5H9F3O2/c1-4(9,3-10-2)5(6,7)8/h9H,3H2,1-2H3/t4-/m1/s1
InChIKeyNGQTWZJGHHRILI-SCSAIBSYSA-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

1,1,1,3,3,3-hexafluoro-2-(methoxymethyl)-2-methylpropane
CID 21062401
1,1,1,2,2-pentafluoro-3-methoxypropane
CID 2776015
ethane;2-fluoro-1-methoxy-2-methylpropane
CID 176980153
(2R)-1,1,1-trifluoro-3-methoxy-2-methylpropan-2-amine
CID 95566847
2,2,3,3-tetrafluoro-1-methoxybutane
CID 59343885
(3,3,3-trifluoro-2-hydroxy-2-methylpropyl) prop-2-enoate
CID 58173753
3-amino-1,1,1-trifluoro-2-methylpropan-2-ol;hydrochloride
CID 71757351
3-(4-aminocyclohexyl)oxy-1,1,1-trifluoro-2-methylpropan-2-ol;hydrochloride
CID 129247859
1-methoxy-2,2-dimethylpropane
CID 160639316
4-amino-1,1,1-trifluoro-2-methylbutan-2-ol
CID 79006473
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7-pentadecafluoro-8-methoxyoctane
CID 21057502
2-ethoxy-1-methoxypropan-2-ol
CID 148549797

Frequently Asked Questions

What is the IUPAC name of (2R)-1,1,1-trifluoro-3-methoxy-2-methylpropan-2-ol?
The IUPAC name of (2R)-1,1,1-trifluoro-3-methoxy-2-methylpropan-2-ol (CID 94475320) is (2R)-1,1,1-trifluoro-3-methoxy-2-methylpropan-2-ol.
What is the SMILES notation for (2R)-1,1,1-trifluoro-3-methoxy-2-methylpropan-2-ol?
The canonical SMILES for (2R)-1,1,1-trifluoro-3-methoxy-2-methylpropan-2-ol is COC[C@@](C)(O)C(F)(F)F.
What is the InChIKey of (2R)-1,1,1-trifluoro-3-methoxy-2-methylpropan-2-ol?
The InChIKey is NGQTWZJGHHRILI-SCSAIBSYSA-N. The full InChI is InChI=1S/C5H9F3O2/c1-4(9,3-10-2)5(6,7)8/h9H,3H2,1-2H3/t4-/m1/s1.
What are the key properties of (2R)-1,1,1-trifluoro-3-methoxy-2-methylpropan-2-ol?
(2R)-1,1,1-trifluoro-3-methoxy-2-methylpropan-2-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 (2R)-1,1,1-trifluoro-3-methoxy-2-methylpropan-2-ol is sourced from PubChem (CID 94475320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).