(4S,5S)-4,5-bis(ethenyl)-4,5-difluoro-2,2-bis(trifluoromethyl)-1,3-dioxolane

C9H6F8O2 — CID 54552205

IUPAC(4S,5S)-4,5-bis(ethenyl)-4,5-difluoro-2,2-bis(trifluoromethyl)-1,3-dioxolane
SMILESC=C[C@@]1(F)OC(C(F)(F)F)(C(F)(F)F)O[C@]1(F)C=C
InChIInChI=1S/C9H6F8O2/c1-3-5(10)6(11,4-2)19-7(18-5,8(12,13)14)9(15,16)17/h3-4H,1-2H2/t5-,6-/m1/s1
InChIKeyZKROSRZVMJOYQC-PHDIDXHHSA-N
MW298.13 g/mol
LogP3.56
Rot. Bonds2

About (4S,5S)-4,5-bis(ethenyl)-4,5-difluoro-2,2-bis(trifluoromethyl)-1,3-dioxolane

(4S,5S)-4,5-bis(ethenyl)-4,5-difluoro-2,2-bis(trifluoromethyl)-1,3-dioxolane (PubChem CID 54552205) has the molecular formula C9H6F8O2 and a molecular weight of 298.13 g/mol. Its IUPAC name is (4S,5S)-4,5-bis(ethenyl)-4,5-difluoro-2,2-bis(trifluoromethyl)-1,3-dioxolane.

Molecular Properties

Compound Name(4S,5S)-4,5-bis(ethenyl)-4,5-difluoro-2,2-bis(trifluoromethyl)-1,3-dioxolane
PubChem CID54552205
Molecular FormulaC9H6F8O2
Molecular Weight298.13 g/mol
Exact Mass298.02
IUPAC Name(4S,5S)-4,5-bis(ethenyl)-4,5-difluoro-2,2-bis(trifluoromethyl)-1,3-dioxolane
SMILESC=C[C@@]1(F)OC(C(F)(F)F)(C(F)(F)F)O[C@]1(F)C=C
InChIInChI=1S/C9H6F8O2/c1-3-5(10)6(11,4-2)19-7(18-5,8(12,13)14)9(15,16)17/h3-4H,1-2H2/t5-,6-/m1/s1
InChIKeyZKROSRZVMJOYQC-PHDIDXHHSA-N
XLogP3.56
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.13
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,2-Bis(trifluoromethyl)-4,5-difluoro-4,5-divinyl-1,3-dioxolane
CID 11022884
(4R,5R)-4,5-bis(ethenyl)-4,5-difluoro-2,2-bis(trifluoromethyl)-1,3-dioxolane
CID 11779414
2,2-Bis(Trifluoromethyl)-4,5-Divinyl-1,3-Dioxolane
CID 19099814
2,2-Bis(ethenyl)-4,4,5,5-tetrafluoro-1,3-dioxolane
CID 19692089
2,2-Bis(trifluoromethyl)-4-vinyl-1,3-dioxolane
CID 19818990
2,2-Bis(trifluoromethyl)-4-vinyl-4,5,5-trifluoro-1,3-dioxolane
CID 19818997
2-Ethenyl-4,4-difluoro-2-(trifluoromethyl)-1,3-dioxolane
CID 21015219
4-Ethenyl-2-fluoro-2-(trifluoromethyl)-1,3-dioxolane
CID 22891804
4,5-Bis(ethenyl)-4,5-difluoro-1,3-dioxolan-2-one
CID 166999721
(4S,5R)-4,5-bis(ethenyl)-4,5-difluoro-2,2-bis(trifluoromethyl)-1,3-dioxolane
CID 10469944

Frequently Asked Questions

What is the IUPAC name of (4S,5S)-4,5-bis(ethenyl)-4,5-difluoro-2,2-bis(trifluoromethyl)-1,3-dioxolane?
The IUPAC name of (4S,5S)-4,5-bis(ethenyl)-4,5-difluoro-2,2-bis(trifluoromethyl)-1,3-dioxolane (CID 54552205) is (4S,5S)-4,5-bis(ethenyl)-4,5-difluoro-2,2-bis(trifluoromethyl)-1,3-dioxolane.
What is the SMILES notation for (4S,5S)-4,5-bis(ethenyl)-4,5-difluoro-2,2-bis(trifluoromethyl)-1,3-dioxolane?
The canonical SMILES for (4S,5S)-4,5-bis(ethenyl)-4,5-difluoro-2,2-bis(trifluoromethyl)-1,3-dioxolane is C=C[C@@]1(F)OC(C(F)(F)F)(C(F)(F)F)O[C@]1(F)C=C.
What is the InChIKey of (4S,5S)-4,5-bis(ethenyl)-4,5-difluoro-2,2-bis(trifluoromethyl)-1,3-dioxolane?
The InChIKey is ZKROSRZVMJOYQC-PHDIDXHHSA-N. The full InChI is InChI=1S/C9H6F8O2/c1-3-5(10)6(11,4-2)19-7(18-5,8(12,13)14)9(15,16)17/h3-4H,1-2H2/t5-,6-/m1/s1.
What are the key properties of (4S,5S)-4,5-bis(ethenyl)-4,5-difluoro-2,2-bis(trifluoromethyl)-1,3-dioxolane?
(4S,5S)-4,5-bis(ethenyl)-4,5-difluoro-2,2-bis(trifluoromethyl)-1,3-dioxolane has a molecular weight of 298.13 g/mol, XLogP of 3.56, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5S)-4,5-bis(ethenyl)-4,5-difluoro-2,2-bis(trifluoromethyl)-1,3-dioxolane is sourced from PubChem (CID 54552205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).