1,2-dichloro-3,3,4,4-tetrafluorocyclopentene

C5H2Cl2F4 — CID 22011454

IUPAC1,2-dichloro-3,3,4,4-tetrafluorocyclopentene
SMILESFC1(F)CC(Cl)=C(Cl)C1(F)F
InChIInChI=1S/C5H2Cl2F4/c6-2-1-4(8,9)5(10,11)3(2)7/h1H2
InChIKeySEDLJSAOYBZCCJ-UHFFFAOYSA-N
MW208.97 g/mol
LogP3.35
Rot. Bonds

About 1,2-dichloro-3,3,4,4-tetrafluorocyclopentene

1,2-dichloro-3,3,4,4-tetrafluorocyclopentene (PubChem CID 22011454) has the molecular formula C5H2Cl2F4 and a molecular weight of 208.97 g/mol. Its IUPAC name is 1,2-dichloro-3,3,4,4-tetrafluorocyclopentene.

Molecular Properties

Compound Name1,2-dichloro-3,3,4,4-tetrafluorocyclopentene
PubChem CID22011454
Molecular FormulaC5H2Cl2F4
Molecular Weight208.97 g/mol
Exact Mass207.95
IUPAC Name1,2-dichloro-3,3,4,4-tetrafluorocyclopentene
SMILESFC1(F)CC(Cl)=C(Cl)C1(F)F
InChIInChI=1S/C5H2Cl2F4/c6-2-1-4(8,9)5(10,11)3(2)7/h1H2
InChIKeySEDLJSAOYBZCCJ-UHFFFAOYSA-N
XLogP3.35
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.97
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1,2-Dichloroperfluorocyclopentene
CID 12815
1-Chloro-3,3,4,4,5,5-hexafluorocyclopentene
CID 630286
1-Chloro-2,3,3,4,4,5,5-heptafluorocyclopentene
CID 11031637
1,2,4-Trichloro-3,3,4,5,5-pentafluorocyclopent-1-ene
CID 11086552
3-Chloro-1,2,3,4,4,5,5-heptafluorocyclopentene
CID 12530560
3,3-Dichloro-1,2,4,4,5,5-hexafluorocyclopentene
CID 21752586
3,4-Dichloro-1,2,3,4,5,5-hexafluorocyclopentene
CID 22104953
1-Chloro-3,3,4,4,5,5-hexafluorocyclopentene;copper(1+)
CID 14224327
1-Chloro-2,3,3,4,4,5,6,6-octafluorocyclohexene
CID 139243159
(3R)-1,2,3-trichloro-3,4,4,5,5-pentafluorocyclopentene
CID 95566468
1,4-Dichloro-2,3,3,4,5,5-hexafluorocyclopentene
CID 11149241
1,2,3-Trichloro-3,4,4,5,5-pentafluorocyclopent-1-ene
CID 11230761

Frequently Asked Questions

What is the IUPAC name of 1,2-dichloro-3,3,4,4-tetrafluorocyclopentene?
The IUPAC name of 1,2-dichloro-3,3,4,4-tetrafluorocyclopentene (CID 22011454) is 1,2-dichloro-3,3,4,4-tetrafluorocyclopentene.
What is the SMILES notation for 1,2-dichloro-3,3,4,4-tetrafluorocyclopentene?
The canonical SMILES for 1,2-dichloro-3,3,4,4-tetrafluorocyclopentene is FC1(F)CC(Cl)=C(Cl)C1(F)F.
What is the InChIKey of 1,2-dichloro-3,3,4,4-tetrafluorocyclopentene?
The InChIKey is SEDLJSAOYBZCCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H2Cl2F4/c6-2-1-4(8,9)5(10,11)3(2)7/h1H2.
What are the key properties of 1,2-dichloro-3,3,4,4-tetrafluorocyclopentene?
1,2-dichloro-3,3,4,4-tetrafluorocyclopentene has a molecular weight of 208.97 g/mol, XLogP of 3.35, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dichloro-3,3,4,4-tetrafluorocyclopentene is sourced from PubChem (CID 22011454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).