2-(difluoromethoxy)-1,1,1,2-tetrafluoroethane;1,1,1-trifluoro-2-(trifluoromethoxy)ethane

C6H4F12O2 — CID 87586525

IUPAC2-(difluoromethoxy)-1,1,1,2-tetrafluoroethane;1,1,1-trifluoro-2-(trifluoromethoxy)ethane
SMILESFC(F)(F)COC(F)(F)F.FC(F)OC(F)C(F)(F)F
InChIInChI=1S/2C3H2F6O/c4-1(3(7,8)9)10-2(5)6;4-2(5,6)1-10-3(7,8)9/h1-2H;1H2
InChIKeyNILACNISRAGVFD-UHFFFAOYSA-N
MW336.07 g/mol
LogP4.17
Rot. Bonds3

About 2-(difluoromethoxy)-1,1,1,2-tetrafluoroethane;1,1,1-trifluoro-2-(trifluoromethoxy)ethane

2-(difluoromethoxy)-1,1,1,2-tetrafluoroethane;1,1,1-trifluoro-2-(trifluoromethoxy)ethane (PubChem CID 87586525) has the molecular formula C6H4F12O2 and a molecular weight of 336.07 g/mol. Its IUPAC name is 2-(difluoromethoxy)-1,1,1,2-tetrafluoroethane;1,1,1-trifluoro-2-(trifluoromethoxy)ethane.

Molecular Properties

Compound Name2-(difluoromethoxy)-1,1,1,2-tetrafluoroethane;1,1,1-trifluoro-2-(trifluoromethoxy)ethane
PubChem CID87586525
Molecular FormulaC6H4F12O2
Molecular Weight336.07 g/mol
Exact Mass336.00
IUPAC Name2-(difluoromethoxy)-1,1,1,2-tetrafluoroethane;1,1,1-trifluoro-2-(trifluoromethoxy)ethane
SMILESFC(F)(F)COC(F)(F)F.FC(F)OC(F)C(F)(F)F
InChIInChI=1S/2C3H2F6O/c4-1(3(7,8)9)10-2(5)6;4-2(5,6)1-10-3(7,8)9/h1-2H;1H2
InChIKeyNILACNISRAGVFD-UHFFFAOYSA-N
XLogP4.17
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.07
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethoxy)-1,1,1,2-tetrafluoroethane;1,1,1-trifluoro-2-(trifluoromethoxy)ethane?
The IUPAC name of 2-(difluoromethoxy)-1,1,1,2-tetrafluoroethane;1,1,1-trifluoro-2-(trifluoromethoxy)ethane (CID 87586525) is 2-(difluoromethoxy)-1,1,1,2-tetrafluoroethane;1,1,1-trifluoro-2-(trifluoromethoxy)ethane.
What is the SMILES notation for 2-(difluoromethoxy)-1,1,1,2-tetrafluoroethane;1,1,1-trifluoro-2-(trifluoromethoxy)ethane?
The canonical SMILES for 2-(difluoromethoxy)-1,1,1,2-tetrafluoroethane;1,1,1-trifluoro-2-(trifluoromethoxy)ethane is FC(F)(F)COC(F)(F)F.FC(F)OC(F)C(F)(F)F.
What is the InChIKey of 2-(difluoromethoxy)-1,1,1,2-tetrafluoroethane;1,1,1-trifluoro-2-(trifluoromethoxy)ethane?
The InChIKey is NILACNISRAGVFD-UHFFFAOYSA-N. The full InChI is InChI=1S/2C3H2F6O/c4-1(3(7,8)9)10-2(5)6;4-2(5,6)1-10-3(7,8)9/h1-2H;1H2.
What are the key properties of 2-(difluoromethoxy)-1,1,1,2-tetrafluoroethane;1,1,1-trifluoro-2-(trifluoromethoxy)ethane?
2-(difluoromethoxy)-1,1,1,2-tetrafluoroethane;1,1,1-trifluoro-2-(trifluoromethoxy)ethane has a molecular weight of 336.07 g/mol, XLogP of 4.17, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethoxy)-1,1,1,2-tetrafluoroethane;1,1,1-trifluoro-2-(trifluoromethoxy)ethane is sourced from PubChem (CID 87586525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).