3-chloro-3,4,4-trifluorocyclobutene

C4H2ClF3 — CID 19387489

IUPAC3-chloro-3,4,4-trifluorocyclobutene
SMILESFC1(F)C=CC1(F)Cl
InChIInChI=1S/C4H2ClF3/c5-3(6)1-2-4(3,7)8/h1-2H
InChIKeyLUPFIJNBRBJCCA-UHFFFAOYSA-N
MW142.51 g/mol
LogP2.10
Rot. Bonds

About 3-chloro-3,4,4-trifluorocyclobutene

3-chloro-3,4,4-trifluorocyclobutene (PubChem CID 19387489) has the molecular formula C4H2ClF3 and a molecular weight of 142.51 g/mol. Its IUPAC name is 3-chloro-3,4,4-trifluorocyclobutene.

Molecular Properties

Compound Name3-chloro-3,4,4-trifluorocyclobutene
PubChem CID19387489
Molecular FormulaC4H2ClF3
Molecular Weight142.51 g/mol
Exact Mass141.98
IUPAC Name3-chloro-3,4,4-trifluorocyclobutene
SMILESFC1(F)C=CC1(F)Cl
InChIInChI=1S/C4H2ClF3/c5-3(6)1-2-4(3,7)8/h1-2H
InChIKeyLUPFIJNBRBJCCA-UHFFFAOYSA-N
XLogP2.10
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.51
LogP ≤ 52.10
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'}

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Related Compounds

1-Chloro 3,3,4,4-tetrafluoro cyclobutene
CID 12663854
3-Difluoro-4,4-dichlorocyclobutene
CID 20224965
1-Chloro-3,3-difluorocyclobutene
CID 13777793
1-Chloro-4,4-difluorocyclobutene
CID 13777794
1-Chloro-3,3,4-trifluorocyclobutene
CID 45075642
4-Chloro-3,3,4,4-tetrafluorobut-1-ene
CID 87213496
3-Chloro-1,3,4,4-tetrafluorocyclobutene
CID 87672470
1,3-Dichloro-3,4,4-trifluorocyclobutene
CID 88808411
(3R)-3-chloro-3,4,4-trifluorocyclobutene
CID 23234749
(3S)-3-chloro-3,4,4-trifluorocyclobutene
CID 23236050

Frequently Asked Questions

What is the IUPAC name of 3-chloro-3,4,4-trifluorocyclobutene?
The IUPAC name of 3-chloro-3,4,4-trifluorocyclobutene (CID 19387489) is 3-chloro-3,4,4-trifluorocyclobutene.
What is the SMILES notation for 3-chloro-3,4,4-trifluorocyclobutene?
The canonical SMILES for 3-chloro-3,4,4-trifluorocyclobutene is FC1(F)C=CC1(F)Cl.
What is the InChIKey of 3-chloro-3,4,4-trifluorocyclobutene?
The InChIKey is LUPFIJNBRBJCCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H2ClF3/c5-3(6)1-2-4(3,7)8/h1-2H.
What are the key properties of 3-chloro-3,4,4-trifluorocyclobutene?
3-chloro-3,4,4-trifluorocyclobutene has a molecular weight of 142.51 g/mol, XLogP of 2.10, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-3,4,4-trifluorocyclobutene is sourced from PubChem (CID 19387489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).