2-chloro-1,1,2,3-tetrafluoro-3-methylcyclobutane

C5H5ClF4 — CID 88700104

IUPAC2-chloro-1,1,2,3-tetrafluoro-3-methylcyclobutane
SMILESCC1(F)CC(F)(F)C1(F)Cl
InChIInChI=1S/C5H5ClF4/c1-3(7)2-4(8,9)5(3,6)10/h2H2,1H3
InChIKeyOKCWAQYOXHDNBZ-UHFFFAOYSA-N
MW176.54 g/mol
LogP2.66
Rot. Bonds

About 2-chloro-1,1,2,3-tetrafluoro-3-methylcyclobutane

2-chloro-1,1,2,3-tetrafluoro-3-methylcyclobutane (PubChem CID 88700104) has the molecular formula C5H5ClF4 and a molecular weight of 176.54 g/mol. Its IUPAC name is 2-chloro-1,1,2,3-tetrafluoro-3-methylcyclobutane.

Molecular Properties

Compound Name2-chloro-1,1,2,3-tetrafluoro-3-methylcyclobutane
PubChem CID88700104
Molecular FormulaC5H5ClF4
Molecular Weight176.54 g/mol
Exact Mass176.00
IUPAC Name2-chloro-1,1,2,3-tetrafluoro-3-methylcyclobutane
SMILESCC1(F)CC(F)(F)C1(F)Cl
InChIInChI=1S/C5H5ClF4/c1-3(7)2-4(8,9)5(3,6)10/h2H2,1H3
InChIKeyOKCWAQYOXHDNBZ-UHFFFAOYSA-N
XLogP2.66
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.54
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 2-chloro-1,1,2,3-tetrafluoro-3-methylcyclobutane with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-chloro-1,1,2,3-tetrafluoro-3-methylcyclobutane?
The IUPAC name of 2-chloro-1,1,2,3-tetrafluoro-3-methylcyclobutane (CID 88700104) is 2-chloro-1,1,2,3-tetrafluoro-3-methylcyclobutane.
What is the SMILES notation for 2-chloro-1,1,2,3-tetrafluoro-3-methylcyclobutane?
The canonical SMILES for 2-chloro-1,1,2,3-tetrafluoro-3-methylcyclobutane is CC1(F)CC(F)(F)C1(F)Cl.
What is the InChIKey of 2-chloro-1,1,2,3-tetrafluoro-3-methylcyclobutane?
The InChIKey is OKCWAQYOXHDNBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5ClF4/c1-3(7)2-4(8,9)5(3,6)10/h2H2,1H3.
What are the key properties of 2-chloro-1,1,2,3-tetrafluoro-3-methylcyclobutane?
2-chloro-1,1,2,3-tetrafluoro-3-methylcyclobutane has a molecular weight of 176.54 g/mol, XLogP of 2.66, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1,1,2,3-tetrafluoro-3-methylcyclobutane is sourced from PubChem (CID 88700104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).