1,2,2-trifluoro-1,2-dimethoxyethanol

C4H7F3O3 — CID 148598336

IUPAC1,2,2-trifluoro-1,2-dimethoxyethanol
SMILESCOC(O)(F)C(F)(F)OC
InChIInChI=1S/C4H7F3O3/c1-9-3(5,6)4(7,8)10-2/h8H,1-2H3
InChIKeyNCABHPBXFWTBOL-UHFFFAOYSA-N
MW160.09 g/mol
LogP0.49
Rot. Bonds3

About 1,2,2-trifluoro-1,2-dimethoxyethanol

1,2,2-trifluoro-1,2-dimethoxyethanol (PubChem CID 148598336) has the molecular formula C4H7F3O3 and a molecular weight of 160.09 g/mol. Its IUPAC name is 1,2,2-trifluoro-1,2-dimethoxyethanol.

Molecular Properties

Compound Name1,2,2-trifluoro-1,2-dimethoxyethanol
PubChem CID148598336
Molecular FormulaC4H7F3O3
Molecular Weight160.09 g/mol
Exact Mass160.03
IUPAC Name1,2,2-trifluoro-1,2-dimethoxyethanol
SMILESCOC(O)(F)C(F)(F)OC
InChIInChI=1S/C4H7F3O3/c1-9-3(5,6)4(7,8)10-2/h8H,1-2H3
InChIKeyNCABHPBXFWTBOL-UHFFFAOYSA-N
XLogP0.49
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.09
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[difluoro(methoxy)methyl]-1,1,1,2,3,3,3-heptafluoropropane
CID 4156734
1,1,1-trichloro-2,2-difluoro-2-methoxyethane
CID 12624
1-bromo-1,1,2,2-tetrafluoro-2-methoxyethane
CID 10921776
1,1,1,3,3,4,4-heptafluoro-4-methoxybutan-2-one
CID 154178612
(1,1,2,2,3,3-hexafluoro-3-methoxypropyl) hypofluorite
CID 59010325
trimethoxymethanol
CID 22386239
2,3-difluoro-2,3-dimethoxybutane
CID 174333179
1,1,1,4,4,4-hexafluoro-3-methoxy-2,3-bis(trifluoromethyl)butan-2-ol
CID 12603900
4-bromo-1,1,2-trifluoro-2-iodo-1-methoxybutane
CID 10860941
1,1,2,2-tetrafluoro-2-(1,1,1,2-tetrafluoropropan-2-yloxy)ethanol
CID 89282246
copper;1,1-dimethoxyethanol
CID 174871236
1,1,1,2,2,3,3,4,4-nonafluoro-4-methoxybutane;1,1,1,2,2,3,4,4,4-nonafluoro-3-methoxybutane
CID 161274146

Frequently Asked Questions

What is the IUPAC name of 1,2,2-trifluoro-1,2-dimethoxyethanol?
The IUPAC name of 1,2,2-trifluoro-1,2-dimethoxyethanol (CID 148598336) is 1,2,2-trifluoro-1,2-dimethoxyethanol.
What is the SMILES notation for 1,2,2-trifluoro-1,2-dimethoxyethanol?
The canonical SMILES for 1,2,2-trifluoro-1,2-dimethoxyethanol is COC(O)(F)C(F)(F)OC.
What is the InChIKey of 1,2,2-trifluoro-1,2-dimethoxyethanol?
The InChIKey is NCABHPBXFWTBOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7F3O3/c1-9-3(5,6)4(7,8)10-2/h8H,1-2H3.
What are the key properties of 1,2,2-trifluoro-1,2-dimethoxyethanol?
1,2,2-trifluoro-1,2-dimethoxyethanol has a molecular weight of 160.09 g/mol, XLogP of 0.49, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,2-trifluoro-1,2-dimethoxyethanol is sourced from PubChem (CID 148598336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).