1-(1-chloroethenyl)-2-[(Z)-1,2-difluoroprop-1-enyl]-3,4,5,6-tetrafluorobenzene

C11H5ClF6 — CID 89305706

IUPAC1-(1-chloroethenyl)-2-[(Z)-1,2-difluoroprop-1-enyl]-3,4,5,6-tetrafluorobenzene
SMILESC=C(Cl)c1c(F)c(F)c(F)c(F)c1/C(F)=C(\C)F
InChIInChI=1S/C11H5ClF6/c1-3(12)5-6(7(14)4(2)13)9(16)11(18)10(17)8(5)15/h1H2,2H3/b7-4-
InChIKeyPSSCBFRHBMJKSN-DAXSKMNVSA-N
MW286.60 g/mol
LogP5.08
Rot. Bonds2

About 1-(1-chloroethenyl)-2-[(Z)-1,2-difluoroprop-1-enyl]-3,4,5,6-tetrafluorobenzene

1-(1-chloroethenyl)-2-[(Z)-1,2-difluoroprop-1-enyl]-3,4,5,6-tetrafluorobenzene (PubChem CID 89305706) has the molecular formula C11H5ClF6 and a molecular weight of 286.60 g/mol. Its IUPAC name is 1-(1-chloroethenyl)-2-[(Z)-1,2-difluoroprop-1-enyl]-3,4,5,6-tetrafluorobenzene.

Molecular Properties

Compound Name1-(1-chloroethenyl)-2-[(Z)-1,2-difluoroprop-1-enyl]-3,4,5,6-tetrafluorobenzene
PubChem CID89305706
Molecular FormulaC11H5ClF6
Molecular Weight286.60 g/mol
Exact Mass286.00
IUPAC Name1-(1-chloroethenyl)-2-[(Z)-1,2-difluoroprop-1-enyl]-3,4,5,6-tetrafluorobenzene
SMILESC=C(Cl)c1c(F)c(F)c(F)c(F)c1/C(F)=C(\C)F
InChIInChI=1S/C11H5ClF6/c1-3(12)5-6(7(14)4(2)13)9(16)11(18)10(17)8(5)15/h1H2,2H3/b7-4-
InChIKeyPSSCBFRHBMJKSN-DAXSKMNVSA-N
XLogP5.08
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500286.60
LogP ≤ 55.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(1-chloroethenyl)-2-[(Z)-1,2-difluoroprop-1-enyl]-3,4,5,6-tetrafluorobenzene?
The IUPAC name of 1-(1-chloroethenyl)-2-[(Z)-1,2-difluoroprop-1-enyl]-3,4,5,6-tetrafluorobenzene (CID 89305706) is 1-(1-chloroethenyl)-2-[(Z)-1,2-difluoroprop-1-enyl]-3,4,5,6-tetrafluorobenzene.
What is the SMILES notation for 1-(1-chloroethenyl)-2-[(Z)-1,2-difluoroprop-1-enyl]-3,4,5,6-tetrafluorobenzene?
The canonical SMILES for 1-(1-chloroethenyl)-2-[(Z)-1,2-difluoroprop-1-enyl]-3,4,5,6-tetrafluorobenzene is C=C(Cl)c1c(F)c(F)c(F)c(F)c1/C(F)=C(\C)F.
What is the InChIKey of 1-(1-chloroethenyl)-2-[(Z)-1,2-difluoroprop-1-enyl]-3,4,5,6-tetrafluorobenzene?
The InChIKey is PSSCBFRHBMJKSN-DAXSKMNVSA-N. The full InChI is InChI=1S/C11H5ClF6/c1-3(12)5-6(7(14)4(2)13)9(16)11(18)10(17)8(5)15/h1H2,2H3/b7-4-.
What are the key properties of 1-(1-chloroethenyl)-2-[(Z)-1,2-difluoroprop-1-enyl]-3,4,5,6-tetrafluorobenzene?
1-(1-chloroethenyl)-2-[(Z)-1,2-difluoroprop-1-enyl]-3,4,5,6-tetrafluorobenzene has a molecular weight of 286.60 g/mol, XLogP of 5.08, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-chloroethenyl)-2-[(Z)-1,2-difluoroprop-1-enyl]-3,4,5,6-tetrafluorobenzene is sourced from PubChem (CID 89305706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).