1,3-dichloro-3,4,4-trifluorocyclobutene

C4HCl2F3 — CID 88808411

IUPAC1,3-dichloro-3,4,4-trifluorocyclobutene
SMILESFC1(Cl)C=C(Cl)C1(F)F
InChIInChI=1S/C4HCl2F3/c5-2-1-3(6,7)4(2,8)9/h1H
InChIKeyFIXDDSGUIHCEKE-UHFFFAOYSA-N
MW176.95 g/mol
LogP2.66
Rot. Bonds

About 1,3-dichloro-3,4,4-trifluorocyclobutene

1,3-dichloro-3,4,4-trifluorocyclobutene (PubChem CID 88808411) has the molecular formula C4HCl2F3 and a molecular weight of 176.95 g/mol. Its IUPAC name is 1,3-dichloro-3,4,4-trifluorocyclobutene.

Molecular Properties

Compound Name1,3-dichloro-3,4,4-trifluorocyclobutene
PubChem CID88808411
Molecular FormulaC4HCl2F3
Molecular Weight176.95 g/mol
Exact Mass175.94
IUPAC Name1,3-dichloro-3,4,4-trifluorocyclobutene
SMILESFC1(Cl)C=C(Cl)C1(F)F
InChIInChI=1S/C4HCl2F3/c5-2-1-3(6,7)4(2,8)9/h1H
InChIKeyFIXDDSGUIHCEKE-UHFFFAOYSA-N
XLogP2.66
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.95
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,3-dichloro-3,4,4-trifluorocyclobutene?
The IUPAC name of 1,3-dichloro-3,4,4-trifluorocyclobutene (CID 88808411) is 1,3-dichloro-3,4,4-trifluorocyclobutene.
What is the SMILES notation for 1,3-dichloro-3,4,4-trifluorocyclobutene?
The canonical SMILES for 1,3-dichloro-3,4,4-trifluorocyclobutene is FC1(Cl)C=C(Cl)C1(F)F.
What is the InChIKey of 1,3-dichloro-3,4,4-trifluorocyclobutene?
The InChIKey is FIXDDSGUIHCEKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C4HCl2F3/c5-2-1-3(6,7)4(2,8)9/h1H.
What are the key properties of 1,3-dichloro-3,4,4-trifluorocyclobutene?
1,3-dichloro-3,4,4-trifluorocyclobutene has a molecular weight of 176.95 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 1,3-dichloro-3,4,4-trifluorocyclobutene is sourced from PubChem (CID 88808411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).