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

C6H7F5O3 — CID 90728691

IUPACfluoromethane;2-(trifluoromethyl)-1,3-dioxolane-2-carbonyl fluoride
SMILESCF.O=C(F)C1(C(F)(F)F)OCCO1
InChIInChI=1S/C5H4F4O3.CH3F/c6-3(10)4(5(7,8)9)11-1-2-12-4;1-2/h1-2H2;1H3
InChIKeyZLWJFHMZHGROCI-UHFFFAOYSA-N
MW222.11 g/mol
LogP1.37
Rot. Bonds1

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

fluoromethane;2-(trifluoromethyl)-1,3-dioxolane-2-carbonyl fluoride (PubChem CID 90728691) has the molecular formula C6H7F5O3 and a molecular weight of 222.11 g/mol. Its IUPAC name is fluoromethane;2-(trifluoromethyl)-1,3-dioxolane-2-carbonyl fluoride.

Molecular Properties

Compound Namefluoromethane;2-(trifluoromethyl)-1,3-dioxolane-2-carbonyl fluoride
PubChem CID90728691
Molecular FormulaC6H7F5O3
Molecular Weight222.11 g/mol
Exact Mass222.03
IUPAC Namefluoromethane;2-(trifluoromethyl)-1,3-dioxolane-2-carbonyl fluoride
SMILESCF.O=C(F)C1(C(F)(F)F)OCCO1
InChIInChI=1S/C5H4F4O3.CH3F/c6-3(10)4(5(7,8)9)11-1-2-12-4;1-2/h1-2H2;1H3
InChIKeyZLWJFHMZHGROCI-UHFFFAOYSA-N
XLogP1.37
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.11
LogP ≤ 51.37
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 fluoromethane;2-(trifluoromethyl)-1,3-dioxolane-2-carbonyl fluoride?
The IUPAC name of fluoromethane;2-(trifluoromethyl)-1,3-dioxolane-2-carbonyl fluoride (CID 90728691) is fluoromethane;2-(trifluoromethyl)-1,3-dioxolane-2-carbonyl fluoride.
What is the SMILES notation for fluoromethane;2-(trifluoromethyl)-1,3-dioxolane-2-carbonyl fluoride?
The canonical SMILES for fluoromethane;2-(trifluoromethyl)-1,3-dioxolane-2-carbonyl fluoride is CF.O=C(F)C1(C(F)(F)F)OCCO1.
What is the InChIKey of fluoromethane;2-(trifluoromethyl)-1,3-dioxolane-2-carbonyl fluoride?
The InChIKey is ZLWJFHMZHGROCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4F4O3.CH3F/c6-3(10)4(5(7,8)9)11-1-2-12-4;1-2/h1-2H2;1H3.
What are the key properties of fluoromethane;2-(trifluoromethyl)-1,3-dioxolane-2-carbonyl fluoride?
fluoromethane;2-(trifluoromethyl)-1,3-dioxolane-2-carbonyl fluoride has a molecular weight of 222.11 g/mol, XLogP of 1.37, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for fluoromethane;2-(trifluoromethyl)-1,3-dioxolane-2-carbonyl fluoride is sourced from PubChem (CID 90728691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).