1-(chloromethyl)-4,4-difluorocyclobutene;3,3-difluorocyclobutene;3,3-difluorocyclopentene

C14H15ClF6 — CID 159500009

IUPAC1-(chloromethyl)-4,4-difluorocyclobutene;3,3-difluorocyclobutene;3,3-difluorocyclopentene
SMILESFC1(F)C=CC1.FC1(F)C=CCC1.FC1(F)CC=C1CCl
InChIInChI=1S/C5H5ClF2.C5H6F2.C4H4F2/c6-3-4-1-2-5(4,7)8;6-5(7)3-1-2-4-5;5-4(6)2-1-3-4/h1H,2-3H2;1,3H,2,4H2;1-2H,3H2
InChIKeyLZGODMCVQVJZAX-UHFFFAOYSA-N
MW332.72 g/mol
LogP5.74
Rot. Bonds1

About 1-(chloromethyl)-4,4-difluorocyclobutene;3,3-difluorocyclobutene;3,3-difluorocyclopentene

1-(chloromethyl)-4,4-difluorocyclobutene;3,3-difluorocyclobutene;3,3-difluorocyclopentene (PubChem CID 159500009) has the molecular formula C14H15ClF6 and a molecular weight of 332.72 g/mol. Its IUPAC name is 1-(chloromethyl)-4,4-difluorocyclobutene;3,3-difluorocyclobutene;3,3-difluorocyclopentene.

Molecular Properties

Compound Name1-(chloromethyl)-4,4-difluorocyclobutene;3,3-difluorocyclobutene;3,3-difluorocyclopentene
PubChem CID159500009
Molecular FormulaC14H15ClF6
Molecular Weight332.72 g/mol
Exact Mass332.08
IUPAC Name1-(chloromethyl)-4,4-difluorocyclobutene;3,3-difluorocyclobutene;3,3-difluorocyclopentene
SMILESFC1(F)C=CC1.FC1(F)C=CCC1.FC1(F)CC=C1CCl
InChIInChI=1S/C5H5ClF2.C5H6F2.C4H4F2/c6-3-4-1-2-5(4,7)8;6-5(7)3-1-2-4-5;5-4(6)2-1-3-4/h1H,2-3H2;1,3H,2,4H2;1-2H,3H2
InChIKeyLZGODMCVQVJZAX-UHFFFAOYSA-N
XLogP5.74
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.72
LogP ≤ 55.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 1-(chloromethyl)-4,4-difluorocyclobutene;3,3-difluorocyclobutene;3,3-difluorocyclopentene 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 1-(chloromethyl)-4,4-difluorocyclobutene;3,3-difluorocyclobutene;3,3-difluorocyclopentene?
The IUPAC name of 1-(chloromethyl)-4,4-difluorocyclobutene;3,3-difluorocyclobutene;3,3-difluorocyclopentene (CID 159500009) is 1-(chloromethyl)-4,4-difluorocyclobutene;3,3-difluorocyclobutene;3,3-difluorocyclopentene.
What is the SMILES notation for 1-(chloromethyl)-4,4-difluorocyclobutene;3,3-difluorocyclobutene;3,3-difluorocyclopentene?
The canonical SMILES for 1-(chloromethyl)-4,4-difluorocyclobutene;3,3-difluorocyclobutene;3,3-difluorocyclopentene is FC1(F)C=CC1.FC1(F)C=CCC1.FC1(F)CC=C1CCl.
What is the InChIKey of 1-(chloromethyl)-4,4-difluorocyclobutene;3,3-difluorocyclobutene;3,3-difluorocyclopentene?
The InChIKey is LZGODMCVQVJZAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5ClF2.C5H6F2.C4H4F2/c6-3-4-1-2-5(4,7)8;6-5(7)3-1-2-4-5;5-4(6)2-1-3-4/h1H,2-3H2;1,3H,2,4H2;1-2H,3H2.
What are the key properties of 1-(chloromethyl)-4,4-difluorocyclobutene;3,3-difluorocyclobutene;3,3-difluorocyclopentene?
1-(chloromethyl)-4,4-difluorocyclobutene;3,3-difluorocyclobutene;3,3-difluorocyclopentene has a molecular weight of 332.72 g/mol, XLogP of 5.74, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(chloromethyl)-4,4-difluorocyclobutene;3,3-difluorocyclobutene;3,3-difluorocyclopentene is sourced from PubChem (CID 159500009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).