carbonochloridic acid;1-chloro-1,2,2-trifluorocyclobutane

C5H5Cl2F3O2 — CID 119097091

IUPACcarbonochloridic acid;1-chloro-1,2,2-trifluorocyclobutane
SMILESFC1(F)CCC1(F)Cl.O=C(O)Cl
InChIInChI=1S/C4H4ClF3.CHClO2/c5-3(6)1-2-4(3,7)8;2-1(3)4/h1-2H2;(H,3,4)
InChIKeyFIDBENWNCIUBJP-UHFFFAOYSA-N
MW224.99 g/mol
LogP3.22
Rot. Bonds

About carbonochloridic acid;1-chloro-1,2,2-trifluorocyclobutane

carbonochloridic acid;1-chloro-1,2,2-trifluorocyclobutane (PubChem CID 119097091) has the molecular formula C5H5Cl2F3O2 and a molecular weight of 224.99 g/mol. Its IUPAC name is carbonochloridic acid;1-chloro-1,2,2-trifluorocyclobutane.

Molecular Properties

Compound Namecarbonochloridic acid;1-chloro-1,2,2-trifluorocyclobutane
PubChem CID119097091
Molecular FormulaC5H5Cl2F3O2
Molecular Weight224.99 g/mol
Exact Mass223.96
IUPAC Namecarbonochloridic acid;1-chloro-1,2,2-trifluorocyclobutane
SMILESFC1(F)CCC1(F)Cl.O=C(O)Cl
InChIInChI=1S/C4H4ClF3.CHClO2/c5-3(6)1-2-4(3,7)8;2-1(3)4/h1-2H2;(H,3,4)
InChIKeyFIDBENWNCIUBJP-UHFFFAOYSA-N
XLogP3.22
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.99
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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bis(carbonochloridic acid);sulfane
CID 172835301
cis-(1S,2R)-1,2-dichlorocyclobutane-1,2-dicarboxylic acid
CID 130618268
2-chloro-2,3,3-trifluorocyclobutane-1-carbonyl chloride
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CID 139221862
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CID 159093381
benzene;hexakis(carbonochloridic acid)
CID 23163830
2,6-dichloro-2,6-difluorocyclohexane-1,1-diol
CID 18970970
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Frequently Asked Questions

What is the IUPAC name of carbonochloridic acid;1-chloro-1,2,2-trifluorocyclobutane?
The IUPAC name of carbonochloridic acid;1-chloro-1,2,2-trifluorocyclobutane (CID 119097091) is carbonochloridic acid;1-chloro-1,2,2-trifluorocyclobutane.
What is the SMILES notation for carbonochloridic acid;1-chloro-1,2,2-trifluorocyclobutane?
The canonical SMILES for carbonochloridic acid;1-chloro-1,2,2-trifluorocyclobutane is FC1(F)CCC1(F)Cl.O=C(O)Cl.
What is the InChIKey of carbonochloridic acid;1-chloro-1,2,2-trifluorocyclobutane?
The InChIKey is FIDBENWNCIUBJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4ClF3.CHClO2/c5-3(6)1-2-4(3,7)8;2-1(3)4/h1-2H2;(H,3,4).
What are the key properties of carbonochloridic acid;1-chloro-1,2,2-trifluorocyclobutane?
carbonochloridic acid;1-chloro-1,2,2-trifluorocyclobutane has a molecular weight of 224.99 g/mol, XLogP of 3.22, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for carbonochloridic acid;1-chloro-1,2,2-trifluorocyclobutane is sourced from PubChem (CID 119097091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).