2-(trifluoromethyl)-1,3-dioxolane-2-carbonyl fluoride

C5H4F4O3 — CID 58637701

IUPAC2-(trifluoromethyl)-1,3-dioxolane-2-carbonyl fluoride
SMILESO=C(F)C1(C(F)(F)F)OCCO1
InChIInChI=1S/C5H4F4O3/c6-3(10)4(5(7,8)9)11-1-2-12-4/h1-2H2
InChIKeyVBNSFUAECFVNMQ-UHFFFAOYSA-N
MW188.08 g/mol
LogP0.79
Rot. Bonds1

About 2-(trifluoromethyl)-1,3-dioxolane-2-carbonyl fluoride

2-(trifluoromethyl)-1,3-dioxolane-2-carbonyl fluoride (PubChem CID 58637701) has the molecular formula C5H4F4O3 and a molecular weight of 188.08 g/mol. Its IUPAC name is 2-(trifluoromethyl)-1,3-dioxolane-2-carbonyl fluoride.

Molecular Properties

Compound Name2-(trifluoromethyl)-1,3-dioxolane-2-carbonyl fluoride
PubChem CID58637701
Molecular FormulaC5H4F4O3
Molecular Weight188.08 g/mol
Exact Mass188.01
IUPAC Name2-(trifluoromethyl)-1,3-dioxolane-2-carbonyl fluoride
SMILESO=C(F)C1(C(F)(F)F)OCCO1
InChIInChI=1S/C5H4F4O3/c6-3(10)4(5(7,8)9)11-1-2-12-4/h1-2H2
InChIKeyVBNSFUAECFVNMQ-UHFFFAOYSA-N
XLogP0.79
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.08
LogP ≤ 50.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4,4,5-Trifluoro-2,5-bis(trifluoromethyl)-1,3-dioxolane-2-carbonyl fluoride
CID 110980
2,2-Bis(trifluoromethyl)-1,3-dioxolan-4-one
CID 12419777
(5S)-5-(2,2,2-trifluoroethyl)-2,2-bis(trifluoromethyl)-1,3-dioxolan-4-one
CID 11472255
(5S)-5-methyl-2,2-bis(trifluoromethyl)-1,3-dioxolan-4-one
CID 131860682
4,4-Difluoro-2,5-bis(trifluoromethyl)-1,3-dioxolane-2-carbonyl fluoride
CID 11449214
5-Methyl-2,2-bis(trifluoromethyl)-1,3-dioxolan-4-one
CID 12419778
Methyl 2-[difluoro-[2-(trifluoromethyl)-1,3-dioxolan-2-yl]methoxy]-2,3,3,3-tetrafluoropropanoate
CID 14401464
2,2,2-Trifluoro-1-[2-(trifluoromethyl)-1,3-dioxolan-2-yl]ethanone
CID 14401466
2,2,2-Trifluoro-1-[2-(trifluoromethyl)-1,3-dioxolan-2-yl]ethanone;hydrate
CID 14401467
[1,1,1,3-Tetrafluoro-2-(2-fluoroethoxy)-3-oxopropan-2-yl] hypofluorite
CID 20733509
(2-Methyl-1,3-dioxolan-2-yl)methyl 3,3,3-trifluoro-2-fluorooxy-2-(1,1,2-trifluoroethoxy)propanoate
CID 20733516
4,4,5,5-Tetrafluoro-2-(trifluoromethyl)-1,3-dioxolane-2-carbonyl fluoride
CID 20816548

Frequently Asked Questions

What is the IUPAC name of 2-(trifluoromethyl)-1,3-dioxolane-2-carbonyl fluoride?
The IUPAC name of 2-(trifluoromethyl)-1,3-dioxolane-2-carbonyl fluoride (CID 58637701) is 2-(trifluoromethyl)-1,3-dioxolane-2-carbonyl fluoride.
What is the SMILES notation for 2-(trifluoromethyl)-1,3-dioxolane-2-carbonyl fluoride?
The canonical SMILES for 2-(trifluoromethyl)-1,3-dioxolane-2-carbonyl fluoride is O=C(F)C1(C(F)(F)F)OCCO1.
What is the InChIKey of 2-(trifluoromethyl)-1,3-dioxolane-2-carbonyl fluoride?
The InChIKey is VBNSFUAECFVNMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4F4O3/c6-3(10)4(5(7,8)9)11-1-2-12-4/h1-2H2.
What are the key properties of 2-(trifluoromethyl)-1,3-dioxolane-2-carbonyl fluoride?
2-(trifluoromethyl)-1,3-dioxolane-2-carbonyl fluoride has a molecular weight of 188.08 g/mol, XLogP of 0.79, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(trifluoromethyl)-1,3-dioxolane-2-carbonyl fluoride is sourced from PubChem (CID 58637701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).