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

C5F6O2 — CID 87774711

IUPAC2-(difluoromethylidene)-4-fluoro-5-(trifluoromethyl)-1,3-dioxole
SMILESFC(F)=C1OC(F)=C(C(F)(F)F)O1
InChIInChI=1S/C5F6O2/c6-2(7)4-12-1(3(8)13-4)5(9,10)11
InChIKeyGPUOETQKLLCPIT-UHFFFAOYSA-N
MW206.04 g/mol
LogP2.80
Rot. Bonds

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

2-(difluoromethylidene)-4-fluoro-5-(trifluoromethyl)-1,3-dioxole (PubChem CID 87774711) has the molecular formula C5F6O2 and a molecular weight of 206.04 g/mol. Its IUPAC name is 2-(difluoromethylidene)-4-fluoro-5-(trifluoromethyl)-1,3-dioxole.

Molecular Properties

Compound Name2-(difluoromethylidene)-4-fluoro-5-(trifluoromethyl)-1,3-dioxole
PubChem CID87774711
Molecular FormulaC5F6O2
Molecular Weight206.04 g/mol
Exact Mass205.98
IUPAC Name2-(difluoromethylidene)-4-fluoro-5-(trifluoromethyl)-1,3-dioxole
SMILESFC(F)=C1OC(F)=C(C(F)(F)F)O1
InChIInChI=1S/C5F6O2/c6-2(7)4-12-1(3(8)13-4)5(9,10)11
InChIKeyGPUOETQKLLCPIT-UHFFFAOYSA-N
XLogP2.80
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.04
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethylidene)-4-fluoro-5-(trifluoromethyl)-1,3-dioxole?
The IUPAC name of 2-(difluoromethylidene)-4-fluoro-5-(trifluoromethyl)-1,3-dioxole (CID 87774711) is 2-(difluoromethylidene)-4-fluoro-5-(trifluoromethyl)-1,3-dioxole.
What is the SMILES notation for 2-(difluoromethylidene)-4-fluoro-5-(trifluoromethyl)-1,3-dioxole?
The canonical SMILES for 2-(difluoromethylidene)-4-fluoro-5-(trifluoromethyl)-1,3-dioxole is FC(F)=C1OC(F)=C(C(F)(F)F)O1.
What is the InChIKey of 2-(difluoromethylidene)-4-fluoro-5-(trifluoromethyl)-1,3-dioxole?
The InChIKey is GPUOETQKLLCPIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5F6O2/c6-2(7)4-12-1(3(8)13-4)5(9,10)11.
What are the key properties of 2-(difluoromethylidene)-4-fluoro-5-(trifluoromethyl)-1,3-dioxole?
2-(difluoromethylidene)-4-fluoro-5-(trifluoromethyl)-1,3-dioxole has a molecular weight of 206.04 g/mol, XLogP of 2.80, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethylidene)-4-fluoro-5-(trifluoromethyl)-1,3-dioxole is sourced from PubChem (CID 87774711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).