(6,6-dichloro-5-fluorohex-5-en-1,3-diynyl)benzene

C12H5Cl2F — CID 24974279

IUPAC(6,6-dichloro-5-fluorohex-5-en-1,3-diynyl)benzene
SMILESFC(C#CC#Cc1ccccc1)=C(Cl)Cl
InChIInChI=1S/C12H5Cl2F/c13-12(14)11(15)9-5-4-8-10-6-2-1-3-7-10/h1-3,6-7H
InChIKeyPZOONOZNMVELRB-UHFFFAOYSA-N
MW239.08 g/mol
LogP3.66
Rot. Bonds

About (6,6-dichloro-5-fluorohex-5-en-1,3-diynyl)benzene

(6,6-dichloro-5-fluorohex-5-en-1,3-diynyl)benzene (PubChem CID 24974279) has the molecular formula C12H5Cl2F and a molecular weight of 239.08 g/mol. Its IUPAC name is (6,6-dichloro-5-fluorohex-5-en-1,3-diynyl)benzene.

Molecular Properties

Compound Name(6,6-dichloro-5-fluorohex-5-en-1,3-diynyl)benzene
PubChem CID24974279
Molecular FormulaC12H5Cl2F
Molecular Weight239.08 g/mol
Exact Mass237.98
IUPAC Name(6,6-dichloro-5-fluorohex-5-en-1,3-diynyl)benzene
SMILESFC(C#CC#Cc1ccccc1)=C(Cl)Cl
InChIInChI=1S/C12H5Cl2F/c13-12(14)11(15)9-5-4-8-10-6-2-1-3-7-10/h1-3,6-7H
InChIKeyPZOONOZNMVELRB-UHFFFAOYSA-N
XLogP3.66
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.08
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

12-phenyl(1,12-13C2)dodeca-1,3,5,7,9,11-hexaynylbenzene
CID 102289282
carbon monoxide;cobalt;4-phenylbuta-1,3-diynylbenzene;ruthenium
CID 11147470
2-((1,2-13C2)cyclohexatrienyl)ethynyl(1,2-13C2)cyclohexatriene
CID 150731469
nona-1,3,5,7-tetraynylbenzene
CID 102149270
[4-(4-phenylbuta-1,3-diynyl)phenyl]methanol
CID 134949933
[3-[fluoro(phenyl)methylidene]-5-phenylpenta-1,4-diynyl]benzene
CID 155935520
1,6-diphenylhex-3-en-1,5-diyne-3,4-dithiol
CID 72543052
2-phenylethynylbenzene;dihydrochloride
CID 174927104
2-phenylethynylbenzene;hydrofluoride
CID 158259923
5-(4-fluorophenyl)penta-2,4-diynoic acid
CID 119088669
palladium;bis(3-phenylprop-2-ynoic acid)
CID 139238294
[4-methyl-3-(2-phenylethynyl)pent-3-en-1-ynyl]benzene
CID 102191460

Frequently Asked Questions

What is the IUPAC name of (6,6-dichloro-5-fluorohex-5-en-1,3-diynyl)benzene?
The IUPAC name of (6,6-dichloro-5-fluorohex-5-en-1,3-diynyl)benzene (CID 24974279) is (6,6-dichloro-5-fluorohex-5-en-1,3-diynyl)benzene.
What is the SMILES notation for (6,6-dichloro-5-fluorohex-5-en-1,3-diynyl)benzene?
The canonical SMILES for (6,6-dichloro-5-fluorohex-5-en-1,3-diynyl)benzene is FC(C#CC#Cc1ccccc1)=C(Cl)Cl.
What is the InChIKey of (6,6-dichloro-5-fluorohex-5-en-1,3-diynyl)benzene?
The InChIKey is PZOONOZNMVELRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H5Cl2F/c13-12(14)11(15)9-5-4-8-10-6-2-1-3-7-10/h1-3,6-7H.
What are the key properties of (6,6-dichloro-5-fluorohex-5-en-1,3-diynyl)benzene?
(6,6-dichloro-5-fluorohex-5-en-1,3-diynyl)benzene has a molecular weight of 239.08 g/mol, XLogP of 3.66, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (6,6-dichloro-5-fluorohex-5-en-1,3-diynyl)benzene is sourced from PubChem (CID 24974279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).