1,2,2,2-tetrafluoro-1-methoxyethanol

C3H4F4O2 — CID 87391390

IUPAC1,2,2,2-tetrafluoro-1-methoxyethanol
SMILESCOC(O)(F)C(F)(F)F
InChIInChI=1S/C3H4F4O2/c1-9-3(7,8)2(4,5)6/h8H,1H3
InChIKeyGKYPKXBKHYWJFW-UHFFFAOYSA-N
MW148.05 g/mol
LogP0.81
Rot. Bonds1

About 1,2,2,2-tetrafluoro-1-methoxyethanol

1,2,2,2-tetrafluoro-1-methoxyethanol (PubChem CID 87391390) has the molecular formula C3H4F4O2 and a molecular weight of 148.05 g/mol. Its IUPAC name is 1,2,2,2-tetrafluoro-1-methoxyethanol.

Molecular Properties

Compound Name1,2,2,2-tetrafluoro-1-methoxyethanol
PubChem CID87391390
Molecular FormulaC3H4F4O2
Molecular Weight148.05 g/mol
Exact Mass148.01
IUPAC Name1,2,2,2-tetrafluoro-1-methoxyethanol
SMILESCOC(O)(F)C(F)(F)F
InChIInChI=1S/C3H4F4O2/c1-9-3(7,8)2(4,5)6/h8H,1H3
InChIKeyGKYPKXBKHYWJFW-UHFFFAOYSA-N
XLogP0.81
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.05
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1,2,2,2-tetrafluoro-1-methoxyethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,2,2,2-tetrafluoro-1-methoxyethanol?
The IUPAC name of 1,2,2,2-tetrafluoro-1-methoxyethanol (CID 87391390) is 1,2,2,2-tetrafluoro-1-methoxyethanol.
What is the SMILES notation for 1,2,2,2-tetrafluoro-1-methoxyethanol?
The canonical SMILES for 1,2,2,2-tetrafluoro-1-methoxyethanol is COC(O)(F)C(F)(F)F.
What is the InChIKey of 1,2,2,2-tetrafluoro-1-methoxyethanol?
The InChIKey is GKYPKXBKHYWJFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H4F4O2/c1-9-3(7,8)2(4,5)6/h8H,1H3.
What are the key properties of 1,2,2,2-tetrafluoro-1-methoxyethanol?
1,2,2,2-tetrafluoro-1-methoxyethanol has a molecular weight of 148.05 g/mol, XLogP of 0.81, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,2,2-tetrafluoro-1-methoxyethanol is sourced from PubChem (CID 87391390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).