3-chloro-2,2,3,4,4-pentafluorocyclobutan-1-one

C4ClF5O — CID 160731078

IUPAC3-chloro-2,2,3,4,4-pentafluorocyclobutan-1-one
SMILESO=C1C(F)(F)C(F)(Cl)C1(F)F
InChIInChI=1S/C4ClF5O/c5-4(10)2(6,7)1(11)3(4,8)9
InChIKeyRUIQMJIMLWWIMC-UHFFFAOYSA-N
MW194.49 g/mol
LogP1.74
Rot. Bonds

About 3-chloro-2,2,3,4,4-pentafluorocyclobutan-1-one

3-chloro-2,2,3,4,4-pentafluorocyclobutan-1-one (PubChem CID 160731078) has the molecular formula C4ClF5O and a molecular weight of 194.49 g/mol. Its IUPAC name is 3-chloro-2,2,3,4,4-pentafluorocyclobutan-1-one.

Molecular Properties

Compound Name3-chloro-2,2,3,4,4-pentafluorocyclobutan-1-one
PubChem CID160731078
Molecular FormulaC4ClF5O
Molecular Weight194.49 g/mol
Exact Mass193.96
IUPAC Name3-chloro-2,2,3,4,4-pentafluorocyclobutan-1-one
SMILESO=C1C(F)(F)C(F)(Cl)C1(F)F
InChIInChI=1S/C4ClF5O/c5-4(10)2(6,7)1(11)3(4,8)9
InChIKeyRUIQMJIMLWWIMC-UHFFFAOYSA-N
XLogP1.74
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.49
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-Chloro-1,1,1,3,3,4,4-heptafluorobutan-2-one
CID 15033854
1-Chloro-1,1,3,3,4,4,5,5,5-nonafluoropentan-2-one
CID 11822120
2,2-Dichloro-3,3,4,4-tetrafluorocyclobutan-1-one
CID 85941611
2-Chloro-2,3,3,4,4-pentafluorocyclobutan-1-one
CID 154083743
2-Chloro-2,3,3-Trifluorocyclobutanone
CID 45119088
3,3-Dichloro-2,2,4,4-tetrafluorocyclobutan-1-one
CID 154123146
2,2,4-Trichloro-3,3,4-trifluorocyclobutan-1-one
CID 154384939

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2,2,3,4,4-pentafluorocyclobutan-1-one?
The IUPAC name of 3-chloro-2,2,3,4,4-pentafluorocyclobutan-1-one (CID 160731078) is 3-chloro-2,2,3,4,4-pentafluorocyclobutan-1-one.
What is the SMILES notation for 3-chloro-2,2,3,4,4-pentafluorocyclobutan-1-one?
The canonical SMILES for 3-chloro-2,2,3,4,4-pentafluorocyclobutan-1-one is O=C1C(F)(F)C(F)(Cl)C1(F)F.
What is the InChIKey of 3-chloro-2,2,3,4,4-pentafluorocyclobutan-1-one?
The InChIKey is RUIQMJIMLWWIMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C4ClF5O/c5-4(10)2(6,7)1(11)3(4,8)9.
What are the key properties of 3-chloro-2,2,3,4,4-pentafluorocyclobutan-1-one?
3-chloro-2,2,3,4,4-pentafluorocyclobutan-1-one has a molecular weight of 194.49 g/mol, XLogP of 1.74, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2,2,3,4,4-pentafluorocyclobutan-1-one is sourced from PubChem (CID 160731078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).