carbonyl dichloride;fluorocyclobutane

C5H7Cl2FO — CID 158358387

IUPACcarbonyl dichloride;fluorocyclobutane
SMILESFC1CCC1.O=C(Cl)Cl
InChIInChI=1S/C4H7F.CCl2O/c5-4-2-1-3-4;2-1(3)4/h4H,1-3H2;
InChIKeyGTDWTMJFUNUQEA-UHFFFAOYSA-N
MW173.01 g/mol
LogP3.09
Rot. Bonds

About carbonyl dichloride;fluorocyclobutane

carbonyl dichloride;fluorocyclobutane (PubChem CID 158358387) has the molecular formula C5H7Cl2FO and a molecular weight of 173.01 g/mol. Its IUPAC name is carbonyl dichloride;fluorocyclobutane.

Molecular Properties

Compound Namecarbonyl dichloride;fluorocyclobutane
PubChem CID158358387
Molecular FormulaC5H7Cl2FO
Molecular Weight173.01 g/mol
Exact Mass171.99
IUPAC Namecarbonyl dichloride;fluorocyclobutane
SMILESFC1CCC1.O=C(Cl)Cl
InChIInChI=1S/C4H7F.CCl2O/c5-4-2-1-3-4;2-1(3)4/h4H,1-3H2;
InChIKeyGTDWTMJFUNUQEA-UHFFFAOYSA-N
XLogP3.09
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.01
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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CID 87187627
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trans-(1R,2R)-cyclohexane-1,2-dicarbonyl chloride
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Frequently Asked Questions

What is the IUPAC name of carbonyl dichloride;fluorocyclobutane?
The IUPAC name of carbonyl dichloride;fluorocyclobutane (CID 158358387) is carbonyl dichloride;fluorocyclobutane.
What is the SMILES notation for carbonyl dichloride;fluorocyclobutane?
The canonical SMILES for carbonyl dichloride;fluorocyclobutane is FC1CCC1.O=C(Cl)Cl.
What is the InChIKey of carbonyl dichloride;fluorocyclobutane?
The InChIKey is GTDWTMJFUNUQEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7F.CCl2O/c5-4-2-1-3-4;2-1(3)4/h4H,1-3H2;.
What are the key properties of carbonyl dichloride;fluorocyclobutane?
carbonyl dichloride;fluorocyclobutane has a molecular weight of 173.01 g/mol, XLogP of 3.09, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for carbonyl dichloride;fluorocyclobutane is sourced from PubChem (CID 158358387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).