2-(difluoromethylidene)-4,5-bis(trifluoromethyl)-1,3-dioxole

C6F8O2 — CID 141177948

IUPAC2-(difluoromethylidene)-4,5-bis(trifluoromethyl)-1,3-dioxole
SMILESFC(F)=C1OC(C(F)(F)F)=C(C(F)(F)F)O1
InChIInChI=1S/C6F8O2/c7-3(8)4-15-1(5(9,10)11)2(16-4)6(12,13)14
InChIKeyKTIJQWFDUPJNKT-UHFFFAOYSA-N
MW256.05 g/mol
LogP3.43
Rot. Bonds

About 2-(difluoromethylidene)-4,5-bis(trifluoromethyl)-1,3-dioxole

2-(difluoromethylidene)-4,5-bis(trifluoromethyl)-1,3-dioxole (PubChem CID 141177948) has the molecular formula C6F8O2 and a molecular weight of 256.05 g/mol. Its IUPAC name is 2-(difluoromethylidene)-4,5-bis(trifluoromethyl)-1,3-dioxole.

Molecular Properties

Compound Name2-(difluoromethylidene)-4,5-bis(trifluoromethyl)-1,3-dioxole
PubChem CID141177948
Molecular FormulaC6F8O2
Molecular Weight256.05 g/mol
Exact Mass255.98
IUPAC Name2-(difluoromethylidene)-4,5-bis(trifluoromethyl)-1,3-dioxole
SMILESFC(F)=C1OC(C(F)(F)F)=C(C(F)(F)F)O1
InChIInChI=1S/C6F8O2/c7-3(8)4-15-1(5(9,10)11)2(16-4)6(12,13)14
InChIKeyKTIJQWFDUPJNKT-UHFFFAOYSA-N
XLogP3.43
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.05
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethylidene)-4,5-bis(trifluoromethyl)-1,3-dioxole?
The IUPAC name of 2-(difluoromethylidene)-4,5-bis(trifluoromethyl)-1,3-dioxole (CID 141177948) is 2-(difluoromethylidene)-4,5-bis(trifluoromethyl)-1,3-dioxole.
What is the SMILES notation for 2-(difluoromethylidene)-4,5-bis(trifluoromethyl)-1,3-dioxole?
The canonical SMILES for 2-(difluoromethylidene)-4,5-bis(trifluoromethyl)-1,3-dioxole is FC(F)=C1OC(C(F)(F)F)=C(C(F)(F)F)O1.
What is the InChIKey of 2-(difluoromethylidene)-4,5-bis(trifluoromethyl)-1,3-dioxole?
The InChIKey is KTIJQWFDUPJNKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6F8O2/c7-3(8)4-15-1(5(9,10)11)2(16-4)6(12,13)14.
What are the key properties of 2-(difluoromethylidene)-4,5-bis(trifluoromethyl)-1,3-dioxole?
2-(difluoromethylidene)-4,5-bis(trifluoromethyl)-1,3-dioxole has a molecular weight of 256.05 g/mol, XLogP of 3.43, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethylidene)-4,5-bis(trifluoromethyl)-1,3-dioxole is sourced from PubChem (CID 141177948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).