3,3-dichloro-2,2,4,4-tetrafluorocyclobutan-1-one

C4Cl2F4O — CID 154123146

IUPAC3,3-dichloro-2,2,4,4-tetrafluorocyclobutan-1-one
SMILESO=C1C(F)(F)C(Cl)(Cl)C1(F)F
InChIInChI=1S/C4Cl2F4O/c5-4(6)2(7,8)1(11)3(4,9)10
InChIKeyLUQYSBYKOAYGTB-UHFFFAOYSA-N
MW210.94 g/mol
LogP2.01
Rot. Bonds

About 3,3-dichloro-2,2,4,4-tetrafluorocyclobutan-1-one

3,3-dichloro-2,2,4,4-tetrafluorocyclobutan-1-one (PubChem CID 154123146) has the molecular formula C4Cl2F4O and a molecular weight of 210.94 g/mol. Its IUPAC name is 3,3-dichloro-2,2,4,4-tetrafluorocyclobutan-1-one.

Molecular Properties

Compound Name3,3-dichloro-2,2,4,4-tetrafluorocyclobutan-1-one
PubChem CID154123146
Molecular FormulaC4Cl2F4O
Molecular Weight210.94 g/mol
Exact Mass209.93
IUPAC Name3,3-dichloro-2,2,4,4-tetrafluorocyclobutan-1-one
SMILESO=C1C(F)(F)C(Cl)(Cl)C1(F)F
InChIInChI=1S/C4Cl2F4O/c5-4(6)2(7,8)1(11)3(4,9)10
InChIKeyLUQYSBYKOAYGTB-UHFFFAOYSA-N
XLogP2.01
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.94
LogP ≤ 52.01
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

1,3,3-Trichloro-1,1,4,4,5,5,5-heptafluoropentan-2-one
CID 22407639
1,1,1-Trichloro-3,3,4,4,4-pentafluorobutan-2-one
CID 15916237
1,1-Dichloro-1,3,3,4,4,4-hexafluorobutan-2-one
CID 15916242
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-Pentanone, 1,1-dichloro-1,3,3,4,4,5,5,5-octafluoro-
CID 10968550
2,2,4-Trichloro-3,3,4-trifluorocyclobutan-1-one
CID 154384939
3-Chloro-2,2,3,4,4-pentafluorocyclobutan-1-one
CID 160731078

Frequently Asked Questions

What is the IUPAC name of 3,3-dichloro-2,2,4,4-tetrafluorocyclobutan-1-one?
The IUPAC name of 3,3-dichloro-2,2,4,4-tetrafluorocyclobutan-1-one (CID 154123146) is 3,3-dichloro-2,2,4,4-tetrafluorocyclobutan-1-one.
What is the SMILES notation for 3,3-dichloro-2,2,4,4-tetrafluorocyclobutan-1-one?
The canonical SMILES for 3,3-dichloro-2,2,4,4-tetrafluorocyclobutan-1-one is O=C1C(F)(F)C(Cl)(Cl)C1(F)F.
What is the InChIKey of 3,3-dichloro-2,2,4,4-tetrafluorocyclobutan-1-one?
The InChIKey is LUQYSBYKOAYGTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C4Cl2F4O/c5-4(6)2(7,8)1(11)3(4,9)10.
What are the key properties of 3,3-dichloro-2,2,4,4-tetrafluorocyclobutan-1-one?
3,3-dichloro-2,2,4,4-tetrafluorocyclobutan-1-one has a molecular weight of 210.94 g/mol, XLogP of 2.01, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dichloro-2,2,4,4-tetrafluorocyclobutan-1-one is sourced from PubChem (CID 154123146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).