2-chloro-2,3,3-trifluorocyclobutane-1-carbonyl chloride

C5H3Cl2F3O — CID 45081928

IUPAC2-chloro-2,3,3-trifluorocyclobutane-1-carbonyl chloride
SMILESO=C(Cl)C1CC(F)(F)C1(F)Cl
InChIInChI=1S/C5H3Cl2F3O/c6-3(11)2-1-4(8,9)5(2,7)10/h2H,1H2
InChIKeyWSUFNRLZNNXPOA-UHFFFAOYSA-N
MW206.98 g/mol
LogP2.31
Rot. Bonds1

About 2-chloro-2,3,3-trifluorocyclobutane-1-carbonyl chloride

2-chloro-2,3,3-trifluorocyclobutane-1-carbonyl chloride (PubChem CID 45081928) has the molecular formula C5H3Cl2F3O and a molecular weight of 206.98 g/mol. Its IUPAC name is 2-chloro-2,3,3-trifluorocyclobutane-1-carbonyl chloride.

Molecular Properties

Compound Name2-chloro-2,3,3-trifluorocyclobutane-1-carbonyl chloride
PubChem CID45081928
Molecular FormulaC5H3Cl2F3O
Molecular Weight206.98 g/mol
Exact Mass205.95
IUPAC Name2-chloro-2,3,3-trifluorocyclobutane-1-carbonyl chloride
SMILESO=C(Cl)C1CC(F)(F)C1(F)Cl
InChIInChI=1S/C5H3Cl2F3O/c6-3(11)2-1-4(8,9)5(2,7)10/h2H,1H2
InChIKeyWSUFNRLZNNXPOA-UHFFFAOYSA-N
XLogP2.31
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.98
LogP ≤ 52.31
H-Bond Donors ≤ 50
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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Frequently Asked Questions

What is the IUPAC name of 2-chloro-2,3,3-trifluorocyclobutane-1-carbonyl chloride?
The IUPAC name of 2-chloro-2,3,3-trifluorocyclobutane-1-carbonyl chloride (CID 45081928) is 2-chloro-2,3,3-trifluorocyclobutane-1-carbonyl chloride.
What is the SMILES notation for 2-chloro-2,3,3-trifluorocyclobutane-1-carbonyl chloride?
The canonical SMILES for 2-chloro-2,3,3-trifluorocyclobutane-1-carbonyl chloride is O=C(Cl)C1CC(F)(F)C1(F)Cl.
What is the InChIKey of 2-chloro-2,3,3-trifluorocyclobutane-1-carbonyl chloride?
The InChIKey is WSUFNRLZNNXPOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3Cl2F3O/c6-3(11)2-1-4(8,9)5(2,7)10/h2H,1H2.
What are the key properties of 2-chloro-2,3,3-trifluorocyclobutane-1-carbonyl chloride?
2-chloro-2,3,3-trifluorocyclobutane-1-carbonyl chloride has a molecular weight of 206.98 g/mol, XLogP of 2.31, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-2,3,3-trifluorocyclobutane-1-carbonyl chloride is sourced from PubChem (CID 45081928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).