1,4-dichloro-3,3-difluorocyclobutene

C4H2Cl2F2 — CID 154127883

IUPAC1,4-dichloro-3,3-difluorocyclobutene
SMILESFC1(F)C=C(Cl)C1Cl
InChIInChI=1S/C4H2Cl2F2/c5-2-1-4(7,8)3(2)6/h1,3H
InChIKeyFCNAJOPATXZHSV-UHFFFAOYSA-N
MW158.96 g/mol
LogP2.37
Rot. Bonds

About 1,4-dichloro-3,3-difluorocyclobutene

1,4-dichloro-3,3-difluorocyclobutene (PubChem CID 154127883) has the molecular formula C4H2Cl2F2 and a molecular weight of 158.96 g/mol. Its IUPAC name is 1,4-dichloro-3,3-difluorocyclobutene.

Molecular Properties

Compound Name1,4-dichloro-3,3-difluorocyclobutene
PubChem CID154127883
Molecular FormulaC4H2Cl2F2
Molecular Weight158.96 g/mol
Exact Mass157.95
IUPAC Name1,4-dichloro-3,3-difluorocyclobutene
SMILESFC1(F)C=C(Cl)C1Cl
InChIInChI=1S/C4H2Cl2F2/c5-2-1-4(7,8)3(2)6/h1,3H
InChIKeyFCNAJOPATXZHSV-UHFFFAOYSA-N
XLogP2.37
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.96
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1,4-Dichloro-3,3,4-trifluoroyclobutene
CID 12786839
1-Chloro-3,3-difluorocyclobutene
CID 13777793
1-Chloro-3,3,4-trifluorocyclobutene
CID 45075642
1,3-Dichloro-3,4,4-trifluorocyclobutene
CID 88808411
1,4,4-Trichloro-3,3-difluorocyclobutene
CID 259397
1,2,4-Trichloro-3,3-difluorocyclobutene
CID 119095681
(3R,4S)-1,3,4-trichlorocyclobutene
CID 133618147

Frequently Asked Questions

What is the IUPAC name of 1,4-dichloro-3,3-difluorocyclobutene?
The IUPAC name of 1,4-dichloro-3,3-difluorocyclobutene (CID 154127883) is 1,4-dichloro-3,3-difluorocyclobutene.
What is the SMILES notation for 1,4-dichloro-3,3-difluorocyclobutene?
The canonical SMILES for 1,4-dichloro-3,3-difluorocyclobutene is FC1(F)C=C(Cl)C1Cl.
What is the InChIKey of 1,4-dichloro-3,3-difluorocyclobutene?
The InChIKey is FCNAJOPATXZHSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H2Cl2F2/c5-2-1-4(7,8)3(2)6/h1,3H.
What are the key properties of 1,4-dichloro-3,3-difluorocyclobutene?
1,4-dichloro-3,3-difluorocyclobutene has a molecular weight of 158.96 g/mol, XLogP of 2.37, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dichloro-3,3-difluorocyclobutene is sourced from PubChem (CID 154127883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).