4,5,5-trifluoro-2,2-bis(trifluoromethyl)-1,3-dioxolane-4-carbonyl fluoride

C6F10O3 — CID 11174344

IUPAC4,5,5-trifluoro-2,2-bis(trifluoromethyl)-1,3-dioxolane-4-carbonyl fluoride
SMILESO=C(F)C1(F)OC(C(F)(F)F)(C(F)(F)F)OC1(F)F
InChIInChI=1S/C6F10O3/c7-1(17)2(8)6(15,16)19-3(18-2,4(9,10)11)5(12,13)14
InChIKeyBOZQQMDIMYEAOW-UHFFFAOYSA-N
MW310.04 g/mol
LogP2.61
Rot. Bonds1

About 4,5,5-trifluoro-2,2-bis(trifluoromethyl)-1,3-dioxolane-4-carbonyl fluoride

4,5,5-trifluoro-2,2-bis(trifluoromethyl)-1,3-dioxolane-4-carbonyl fluoride (PubChem CID 11174344) has the molecular formula C6F10O3 and a molecular weight of 310.04 g/mol. Its IUPAC name is 4,5,5-trifluoro-2,2-bis(trifluoromethyl)-1,3-dioxolane-4-carbonyl fluoride.

Molecular Properties

Compound Name4,5,5-trifluoro-2,2-bis(trifluoromethyl)-1,3-dioxolane-4-carbonyl fluoride
PubChem CID11174344
Molecular FormulaC6F10O3
Molecular Weight310.04 g/mol
Exact Mass309.97
IUPAC Name4,5,5-trifluoro-2,2-bis(trifluoromethyl)-1,3-dioxolane-4-carbonyl fluoride
SMILESO=C(F)C1(F)OC(C(F)(F)F)(C(F)(F)F)OC1(F)F
InChIInChI=1S/C6F10O3/c7-1(17)2(8)6(15,16)19-3(18-2,4(9,10)11)5(12,13)14
InChIKeyBOZQQMDIMYEAOW-UHFFFAOYSA-N
XLogP2.61
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.04
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4,5,5-trifluoro-2,2-bis(trifluoromethyl)-1,3-dioxolane-4-carbonyl fluoride?
The IUPAC name of 4,5,5-trifluoro-2,2-bis(trifluoromethyl)-1,3-dioxolane-4-carbonyl fluoride (CID 11174344) is 4,5,5-trifluoro-2,2-bis(trifluoromethyl)-1,3-dioxolane-4-carbonyl fluoride.
What is the SMILES notation for 4,5,5-trifluoro-2,2-bis(trifluoromethyl)-1,3-dioxolane-4-carbonyl fluoride?
The canonical SMILES for 4,5,5-trifluoro-2,2-bis(trifluoromethyl)-1,3-dioxolane-4-carbonyl fluoride is O=C(F)C1(F)OC(C(F)(F)F)(C(F)(F)F)OC1(F)F.
What is the InChIKey of 4,5,5-trifluoro-2,2-bis(trifluoromethyl)-1,3-dioxolane-4-carbonyl fluoride?
The InChIKey is BOZQQMDIMYEAOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6F10O3/c7-1(17)2(8)6(15,16)19-3(18-2,4(9,10)11)5(12,13)14.
What are the key properties of 4,5,5-trifluoro-2,2-bis(trifluoromethyl)-1,3-dioxolane-4-carbonyl fluoride?
4,5,5-trifluoro-2,2-bis(trifluoromethyl)-1,3-dioxolane-4-carbonyl fluoride has a molecular weight of 310.04 g/mol, XLogP of 2.61, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5,5-trifluoro-2,2-bis(trifluoromethyl)-1,3-dioxolane-4-carbonyl fluoride is sourced from PubChem (CID 11174344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).