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

C3HClF6O — CID 10330496

IUPAC2-[chloro(difluoro)methoxy]-1,1,1,2-tetrafluoroethane
SMILESFC(OC(F)(F)Cl)C(F)(F)F
InChIInChI=1S/C3HClF6O/c4-3(9,10)11-1(5)2(6,7)8/h1H
InChIKeyIESZXMOGXWKHRK-UHFFFAOYSA-N
MW202.48 g/mol
LogP2.65
Rot. Bonds2

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

2-[chloro(difluoro)methoxy]-1,1,1,2-tetrafluoroethane (PubChem CID 10330496) has the molecular formula C3HClF6O and a molecular weight of 202.48 g/mol. Its IUPAC name is 2-[chloro(difluoro)methoxy]-1,1,1,2-tetrafluoroethane.

Molecular Properties

Compound Name2-[chloro(difluoro)methoxy]-1,1,1,2-tetrafluoroethane
PubChem CID10330496
Molecular FormulaC3HClF6O
Molecular Weight202.48 g/mol
Exact Mass201.96
IUPAC Name2-[chloro(difluoro)methoxy]-1,1,1,2-tetrafluoroethane
SMILESFC(OC(F)(F)Cl)C(F)(F)F
InChIInChI=1S/C3HClF6O/c4-3(9,10)11-1(5)2(6,7)8/h1H
InChIKeyIESZXMOGXWKHRK-UHFFFAOYSA-N
XLogP2.65
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.48
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[chloro(difluoro)methoxy]-1,1,1,2-tetrafluoroethane?
The IUPAC name of 2-[chloro(difluoro)methoxy]-1,1,1,2-tetrafluoroethane (CID 10330496) is 2-[chloro(difluoro)methoxy]-1,1,1,2-tetrafluoroethane.
What is the SMILES notation for 2-[chloro(difluoro)methoxy]-1,1,1,2-tetrafluoroethane?
The canonical SMILES for 2-[chloro(difluoro)methoxy]-1,1,1,2-tetrafluoroethane is FC(OC(F)(F)Cl)C(F)(F)F.
What is the InChIKey of 2-[chloro(difluoro)methoxy]-1,1,1,2-tetrafluoroethane?
The InChIKey is IESZXMOGXWKHRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C3HClF6O/c4-3(9,10)11-1(5)2(6,7)8/h1H.
What are the key properties of 2-[chloro(difluoro)methoxy]-1,1,1,2-tetrafluoroethane?
2-[chloro(difluoro)methoxy]-1,1,1,2-tetrafluoroethane has a molecular weight of 202.48 g/mol, XLogP of 2.65, 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]-1,1,1,2-tetrafluoroethane is sourced from PubChem (CID 10330496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).