2-[chloro(difluoro)methoxy]-1,1,1-trifluoroethane

C3H2ClF5O — CID 3082369

IUPAC2-[chloro(difluoro)methoxy]-1,1,1-trifluoroethane
SMILESFC(F)(F)COC(F)(F)Cl
InChIInChI=1S/C3H2ClF5O/c4-3(8,9)10-1-2(5,6)7/h1H2
InChIKeyHPDPVPUXPBZBOJ-UHFFFAOYSA-N
MW184.49 g/mol
LogP2.35
Rot. Bonds2

About 2-[chloro(difluoro)methoxy]-1,1,1-trifluoroethane

2-[chloro(difluoro)methoxy]-1,1,1-trifluoroethane (PubChem CID 3082369) has the molecular formula C3H2ClF5O and a molecular weight of 184.49 g/mol. Its IUPAC name is 2-[chloro(difluoro)methoxy]-1,1,1-trifluoroethane.

Molecular Properties

Compound Name2-[chloro(difluoro)methoxy]-1,1,1-trifluoroethane
PubChem CID3082369
Molecular FormulaC3H2ClF5O
Molecular Weight184.49 g/mol
Exact Mass183.97
IUPAC Name2-[chloro(difluoro)methoxy]-1,1,1-trifluoroethane
SMILESFC(F)(F)COC(F)(F)Cl
InChIInChI=1S/C3H2ClF5O/c4-3(8,9)10-1-2(5,6)7/h1H2
InChIKeyHPDPVPUXPBZBOJ-UHFFFAOYSA-N
XLogP2.35
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.49
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 2-[chloro(difluoro)methoxy]-1,1,1-trifluoroethane 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 2-[chloro(difluoro)methoxy]-1,1,1-trifluoroethane?
The IUPAC name of 2-[chloro(difluoro)methoxy]-1,1,1-trifluoroethane (CID 3082369) is 2-[chloro(difluoro)methoxy]-1,1,1-trifluoroethane.
What is the SMILES notation for 2-[chloro(difluoro)methoxy]-1,1,1-trifluoroethane?
The canonical SMILES for 2-[chloro(difluoro)methoxy]-1,1,1-trifluoroethane is FC(F)(F)COC(F)(F)Cl.
What is the InChIKey of 2-[chloro(difluoro)methoxy]-1,1,1-trifluoroethane?
The InChIKey is HPDPVPUXPBZBOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H2ClF5O/c4-3(8,9)10-1-2(5,6)7/h1H2.
What are the key properties of 2-[chloro(difluoro)methoxy]-1,1,1-trifluoroethane?
2-[chloro(difluoro)methoxy]-1,1,1-trifluoroethane has a molecular weight of 184.49 g/mol, XLogP of 2.35, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[chloro(difluoro)methoxy]-1,1,1-trifluoroethane is sourced from PubChem (CID 3082369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).