4-fluoro-2-methylidene-4-(trifluoromethyl)-1,3-dioxolane

C5H4F4O2 — CID 58100397

IUPAC4-fluoro-2-methylidene-4-(trifluoromethyl)-1,3-dioxolane
SMILESC=C1OCC(F)(C(F)(F)F)O1
InChIInChI=1S/C5H4F4O2/c1-3-10-2-4(6,11-3)5(7,8)9/h1-2H2
InChIKeyHCCLZMBBMQJHTR-UHFFFAOYSA-N
MW172.08 g/mol
LogP1.73
Rot. Bonds

About 4-fluoro-2-methylidene-4-(trifluoromethyl)-1,3-dioxolane

4-fluoro-2-methylidene-4-(trifluoromethyl)-1,3-dioxolane (PubChem CID 58100397) has the molecular formula C5H4F4O2 and a molecular weight of 172.08 g/mol. Its IUPAC name is 4-fluoro-2-methylidene-4-(trifluoromethyl)-1,3-dioxolane.

Molecular Properties

Compound Name4-fluoro-2-methylidene-4-(trifluoromethyl)-1,3-dioxolane
PubChem CID58100397
Molecular FormulaC5H4F4O2
Molecular Weight172.08 g/mol
Exact Mass172.01
IUPAC Name4-fluoro-2-methylidene-4-(trifluoromethyl)-1,3-dioxolane
SMILESC=C1OCC(F)(C(F)(F)F)O1
InChIInChI=1S/C5H4F4O2/c1-3-10-2-4(6,11-3)5(7,8)9/h1-2H2
InChIKeyHCCLZMBBMQJHTR-UHFFFAOYSA-N
XLogP1.73
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.08
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,2-Bis(trifluoromethyl)-1,3-dioxolane
CID 120560
2-(Difluoromethylidene)-1,3-dioxolane
CID 20576357
1,1-Difluoroethene;2-(difluoromethylidene)-4,4,5-trifluoro-5-(trifluoromethyl)-1,3-dioxolane
CID 44144899
2,2-Bis(difluoromethyl)-1,3-dioxolane
CID 21731045
2,2-Bis(difluoromethyl)-4,5-difluoro-1,3-dioxolane
CID 21731048
2-(Difluoromethylidene)-4,4-difluoro-5-(trifluoromethyl)-1,3-dioxolane
CID 11333603
2-(1,1,2,2,2-Pentafluoroethyl)-2-(trifluoromethyl)-1,3-dioxolane
CID 14401465
4,5-Difluoro-2-methylidene-4,5-bis(trifluoromethyl)-1,3-dioxolane
CID 18335876
4,4,5-Trifluoro-2-methylidene-5-(trifluoromethyl)-1,3-dioxolane
CID 20735783
2-(1,2,2,2-Tetrafluoroethyl)-2-(trifluoromethyl)-1,3-dioxolane
CID 21441862
2-(Difluoromethyl)-2-(trifluoromethyl)-1,3-dioxolane
CID 21441863
4,5,5-Trifluoro-4-methyl-2-methylene-1,3-dioxolane
CID 22025806

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-methylidene-4-(trifluoromethyl)-1,3-dioxolane?
The IUPAC name of 4-fluoro-2-methylidene-4-(trifluoromethyl)-1,3-dioxolane (CID 58100397) is 4-fluoro-2-methylidene-4-(trifluoromethyl)-1,3-dioxolane.
What is the SMILES notation for 4-fluoro-2-methylidene-4-(trifluoromethyl)-1,3-dioxolane?
The canonical SMILES for 4-fluoro-2-methylidene-4-(trifluoromethyl)-1,3-dioxolane is C=C1OCC(F)(C(F)(F)F)O1.
What is the InChIKey of 4-fluoro-2-methylidene-4-(trifluoromethyl)-1,3-dioxolane?
The InChIKey is HCCLZMBBMQJHTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4F4O2/c1-3-10-2-4(6,11-3)5(7,8)9/h1-2H2.
What are the key properties of 4-fluoro-2-methylidene-4-(trifluoromethyl)-1,3-dioxolane?
4-fluoro-2-methylidene-4-(trifluoromethyl)-1,3-dioxolane has a molecular weight of 172.08 g/mol, XLogP of 1.73, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-methylidene-4-(trifluoromethyl)-1,3-dioxolane is sourced from PubChem (CID 58100397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).