2,2,2-trifluoro-1-methoxyethanol

C3H5F3O2 — CID 9892

IUPAC2,2,2-trifluoro-1-methoxyethanol
SMILESCOC(O)C(F)(F)F
InChIInChI=1S/C3H5F3O2/c1-8-2(7)3(4,5)6/h2,7H,1H3
InChIKeyGWTBCUWZAVMAQV-UHFFFAOYSA-N
MW130.06 g/mol
LogP0.51
Rot. Bonds1

About 2,2,2-trifluoro-1-methoxyethanol

2,2,2-trifluoro-1-methoxyethanol (PubChem CID 9892) has the molecular formula C3H5F3O2 and a molecular weight of 130.06 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-methoxyethanol.

Molecular Properties

Compound Name2,2,2-trifluoro-1-methoxyethanol
PubChem CID9892
Molecular FormulaC3H5F3O2
Molecular Weight130.06 g/mol
Exact Mass130.02
IUPAC Name2,2,2-trifluoro-1-methoxyethanol
SMILESCOC(O)C(F)(F)F
InChIInChI=1S/C3H5F3O2/c1-8-2(7)3(4,5)6/h2,7H,1H3
InChIKeyGWTBCUWZAVMAQV-UHFFFAOYSA-N
XLogP0.51
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.06
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2,2-difluoro-1-methoxy-3-methylbutan-1-ol
CID 10241005
1-ethoxy-2,2,2-trifluoroethanol
CID 9897
2,2,2-tribromo-1-methoxyethanol
CID 13096273
2,2,2-trifluoro-1-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)ethanol
CID 86050515
2-(1,1-difluoro-2-methylpropoxy)-2,3,3,3-tetrafluoro-1-methoxypropan-1-ol
CID 171417876
(2R)-1,1,1,2-tetrafluoro-2-methoxyethane
CID 14272779
(2S)-1,1,1,2-tetrafluoro-2-methoxyethane
CID 10986261
1-methoxy-2,2-dimethylbutan-1-ol
CID 20675645
methyl 2,2,3,3,4,4,5,5-octafluoro-6-hydroxy-6-methoxyhexanoate
CID 171417883
(1R)-1-butoxy-2,2,2-trifluoroethanol
CID 102316577
azane;1,1,1-trifluoropropan-2-ol
CID 172812336
3-bromo-1-methoxy-2,2-dimethylpropan-1-ol
CID 168838897

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-1-methoxyethanol?
The IUPAC name of 2,2,2-trifluoro-1-methoxyethanol (CID 9892) is 2,2,2-trifluoro-1-methoxyethanol.
What is the SMILES notation for 2,2,2-trifluoro-1-methoxyethanol?
The canonical SMILES for 2,2,2-trifluoro-1-methoxyethanol is COC(O)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-1-methoxyethanol?
The InChIKey is GWTBCUWZAVMAQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5F3O2/c1-8-2(7)3(4,5)6/h2,7H,1H3.
What are the key properties of 2,2,2-trifluoro-1-methoxyethanol?
2,2,2-trifluoro-1-methoxyethanol has a molecular weight of 130.06 g/mol, XLogP of 0.51, 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-methoxyethanol is sourced from PubChem (CID 9892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).