1,2,3,4,5-pentafluoro-6-[(Z)-1,3,3,3-tetrachloro-2-fluoroprop-1-enyl]benzene

C9Cl4F6 — CID 14091783

IUPAC1,2,3,4,5-pentafluoro-6-[(Z)-1,3,3,3-tetrachloro-2-fluoroprop-1-enyl]benzene
SMILESF/C(=C(\Cl)c1c(F)c(F)c(F)c(F)c1F)C(Cl)(Cl)Cl
InChIInChI=1S/C9Cl4F6/c10-2(8(19)9(11,12)13)1-3(14)5(16)7(18)6(17)4(1)15/b8-2-
InChIKeyTXVQUQZZGDKFCE-WAPJZHGLSA-N
MW363.90 g/mol
LogP5.63
Rot. Bonds1

About 1,2,3,4,5-pentafluoro-6-[(Z)-1,3,3,3-tetrachloro-2-fluoroprop-1-enyl]benzene

1,2,3,4,5-pentafluoro-6-[(Z)-1,3,3,3-tetrachloro-2-fluoroprop-1-enyl]benzene (PubChem CID 14091783) has the molecular formula C9Cl4F6 and a molecular weight of 363.90 g/mol. Its IUPAC name is 1,2,3,4,5-pentafluoro-6-[(Z)-1,3,3,3-tetrachloro-2-fluoroprop-1-enyl]benzene.

Molecular Properties

Compound Name1,2,3,4,5-pentafluoro-6-[(Z)-1,3,3,3-tetrachloro-2-fluoroprop-1-enyl]benzene
PubChem CID14091783
Molecular FormulaC9Cl4F6
Molecular Weight363.90 g/mol
Exact Mass361.87
IUPAC Name1,2,3,4,5-pentafluoro-6-[(Z)-1,3,3,3-tetrachloro-2-fluoroprop-1-enyl]benzene
SMILESF/C(=C(\Cl)c1c(F)c(F)c(F)c(F)c1F)C(Cl)(Cl)Cl
InChIInChI=1S/C9Cl4F6/c10-2(8(19)9(11,12)13)1-3(14)5(16)7(18)6(17)4(1)15/b8-2-
InChIKeyTXVQUQZZGDKFCE-WAPJZHGLSA-N
XLogP5.63
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.90
LogP ≤ 55.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

2,4,5,6-tetrafluorobenzene-1,3-dicarbonyl chloride
CID 18764629
2,3,5,6-tetrafluoro-4-(2,3,4,5,6-pentafluorophenyl)benzoyl chloride
CID 134617411
1,2,3,4,5-pentafluoro-6-(1,2,3,3,4,4,5,5,6,6,6-undecafluorohex-1-enyl)benzene
CID 141281637
1-(1-chloroethenyl)-2-[(Z)-1,2-difluoroprop-1-enyl]-3,4,5,6-tetrafluorobenzene
CID 89305706
1,2,3,4-tetrafluoro-5-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-6-(1,2,2-trifluoroethenyl)benzene
CID 172717406
sodium;2,3,4,5,6-pentafluorobenzoate;hydrate
CID 155734252
1,2,3,4,5-pentafluoro-6-(3,3,3-trifluoroprop-1-en-2-yl)benzene
CID 23236517
1,2,3,4,5-pentafluoro-6-[2,3,5,6-tetrafluoro-4-(1,2,2-trifluoroethenyl)phenyl]benzene
CID 54510849
[amino-[4-[amino(azaniumylidene)methyl]-2,3,5,6-tetrafluorophenyl]methylidene]azanium
CID 6347331
2,3,4,5,6-pentafluoro(13C)benzoic acid
CID 171380486
1-[dichloro(fluoro)methyl]-2,3,4,5,6-pentafluorobenzene
CID 13416590
2,2-dichloro-1-(2,3,4,5,6-pentafluorophenyl)ethanone
CID 146007729

Frequently Asked Questions

What is the IUPAC name of 1,2,3,4,5-pentafluoro-6-[(Z)-1,3,3,3-tetrachloro-2-fluoroprop-1-enyl]benzene?
The IUPAC name of 1,2,3,4,5-pentafluoro-6-[(Z)-1,3,3,3-tetrachloro-2-fluoroprop-1-enyl]benzene (CID 14091783) is 1,2,3,4,5-pentafluoro-6-[(Z)-1,3,3,3-tetrachloro-2-fluoroprop-1-enyl]benzene.
What is the SMILES notation for 1,2,3,4,5-pentafluoro-6-[(Z)-1,3,3,3-tetrachloro-2-fluoroprop-1-enyl]benzene?
The canonical SMILES for 1,2,3,4,5-pentafluoro-6-[(Z)-1,3,3,3-tetrachloro-2-fluoroprop-1-enyl]benzene is F/C(=C(\Cl)c1c(F)c(F)c(F)c(F)c1F)C(Cl)(Cl)Cl.
What is the InChIKey of 1,2,3,4,5-pentafluoro-6-[(Z)-1,3,3,3-tetrachloro-2-fluoroprop-1-enyl]benzene?
The InChIKey is TXVQUQZZGDKFCE-WAPJZHGLSA-N. The full InChI is InChI=1S/C9Cl4F6/c10-2(8(19)9(11,12)13)1-3(14)5(16)7(18)6(17)4(1)15/b8-2-.
What are the key properties of 1,2,3,4,5-pentafluoro-6-[(Z)-1,3,3,3-tetrachloro-2-fluoroprop-1-enyl]benzene?
1,2,3,4,5-pentafluoro-6-[(Z)-1,3,3,3-tetrachloro-2-fluoroprop-1-enyl]benzene has a molecular weight of 363.90 g/mol, XLogP of 5.63, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4,5-pentafluoro-6-[(Z)-1,3,3,3-tetrachloro-2-fluoroprop-1-enyl]benzene is sourced from PubChem (CID 14091783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).