3,3-difluorocyclobutane-1-carbonyl chloride

C5H5ClF2O — CID 83855003

IUPAC3,3-difluorocyclobutane-1-carbonyl chloride
SMILESO=C(Cl)C1CC(F)(F)C1
InChIInChI=1S/C5H5ClF2O/c6-4(9)3-1-5(7,8)2-3/h3H,1-2H2
InChIKeyKGCHVYYLIWLLFD-UHFFFAOYSA-N
MW154.54 g/mol
LogP1.80
Rot. Bonds1

About 3,3-difluorocyclobutane-1-carbonyl chloride

3,3-difluorocyclobutane-1-carbonyl chloride (PubChem CID 83855003) has the molecular formula C5H5ClF2O and a molecular weight of 154.54 g/mol. Its IUPAC name is 3,3-difluorocyclobutane-1-carbonyl chloride.

Molecular Properties

Compound Name3,3-difluorocyclobutane-1-carbonyl chloride
PubChem CID83855003
Molecular FormulaC5H5ClF2O
Molecular Weight154.54 g/mol
Exact Mass154.00
IUPAC Name3,3-difluorocyclobutane-1-carbonyl chloride
SMILESO=C(Cl)C1CC(F)(F)C1
InChIInChI=1S/C5H5ClF2O/c6-4(9)3-1-5(7,8)2-3/h3H,1-2H2
InChIKeyKGCHVYYLIWLLFD-UHFFFAOYSA-N
XLogP1.80
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.54
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 3,3-difluorocyclobutane-1-carbonyl chloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1R)-2,2-difluorocyclopropane-1-carbonyl chloride
CID 124563920
1-(3,3-difluorocyclobutyl)-2-methylpropan-1-one
CID 58812212
cyclobutyl 3,3-difluorocyclobutane-1-carboxylate
CID 126991531
(3,3-difluorocyclobutyl)-piperidin-1-ylmethanone
CID 131196465
propan-2-yl 3,3-difluorocyclobutane-1-carboxylate
CID 131200165
(3,3-difluorocyclobutyl)-(4-methylcyclohexyl)methanone
CID 118883086
2-chloro-2,3,3-trifluorocyclobutane-1-carbonyl chloride
CID 45081928
3,3-difluoro-N-[(2R)-3-methylbutan-2-yl]cyclobutane-1-carboxamide
CID 164821522
2-(3,3-difluorocyclobutanecarbonyl)-3,3-dimethylbutanenitrile
CID 169169395
2-chloro-1-(3,3-difluorocyclohexyl)ethanone
CID 130487880
3,3-difluoro-N-(oxetan-3-yl)cyclobutane-1-carboxamide
CID 130843839
3,3-difluoro-N-propylcyclobutane-1-carboxamide
CID 130711162

Frequently Asked Questions

What is the IUPAC name of 3,3-difluorocyclobutane-1-carbonyl chloride?
The IUPAC name of 3,3-difluorocyclobutane-1-carbonyl chloride (CID 83855003) is 3,3-difluorocyclobutane-1-carbonyl chloride.
What is the SMILES notation for 3,3-difluorocyclobutane-1-carbonyl chloride?
The canonical SMILES for 3,3-difluorocyclobutane-1-carbonyl chloride is O=C(Cl)C1CC(F)(F)C1.
What is the InChIKey of 3,3-difluorocyclobutane-1-carbonyl chloride?
The InChIKey is KGCHVYYLIWLLFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5ClF2O/c6-4(9)3-1-5(7,8)2-3/h3H,1-2H2.
What are the key properties of 3,3-difluorocyclobutane-1-carbonyl chloride?
3,3-difluorocyclobutane-1-carbonyl chloride has a molecular weight of 154.54 g/mol, XLogP of 1.80, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluorocyclobutane-1-carbonyl chloride is sourced from PubChem (CID 83855003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).