1,3-dichloro-1,2,3,4,4,6-hexafluorohex-1-ene

C6H4Cl2F6 — CID 154388896

IUPAC1,3-dichloro-1,2,3,4,4,6-hexafluorohex-1-ene
SMILESFCCC(F)(F)C(F)(Cl)C(F)=C(F)Cl
InChIInChI=1S/C6H4Cl2F6/c7-4(11)3(10)6(8,14)5(12,13)1-2-9/h1-2H2
InChIKeyIGQDVRVKRQDBQB-UHFFFAOYSA-N
MW260.99 g/mol
LogP4.23
Rot. Bonds4

About 1,3-dichloro-1,2,3,4,4,6-hexafluorohex-1-ene

1,3-dichloro-1,2,3,4,4,6-hexafluorohex-1-ene (PubChem CID 154388896) has the molecular formula C6H4Cl2F6 and a molecular weight of 260.99 g/mol. Its IUPAC name is 1,3-dichloro-1,2,3,4,4,6-hexafluorohex-1-ene.

Molecular Properties

Compound Name1,3-dichloro-1,2,3,4,4,6-hexafluorohex-1-ene
PubChem CID154388896
Molecular FormulaC6H4Cl2F6
Molecular Weight260.99 g/mol
Exact Mass259.96
IUPAC Name1,3-dichloro-1,2,3,4,4,6-hexafluorohex-1-ene
SMILESFCCC(F)(F)C(F)(Cl)C(F)=C(F)Cl
InChIInChI=1S/C6H4Cl2F6/c7-4(11)3(10)6(8,14)5(12,13)1-2-9/h1-2H2
InChIKeyIGQDVRVKRQDBQB-UHFFFAOYSA-N
XLogP4.23
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.99
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1,1-dichloro-1,3-difluoropropane
CID 14226151
CID 140662852
CID 140662852
3,4,4,5,5,7-hexafluorohepta-1,2-diene
CID 139662530
1,1,3-trifluoropropan-1-ol
CID 18319092
1,2,4-trichloro-1,1,3,4,4-pentafluorobut-2-ene
CID 54297906
3,4,4,4-tetrachloro-1,1,2,3-tetrafluorobut-1-ene
CID 13031271
difluoromethane;1,1,1,3-tetrafluoropropane
CID 91452847
1-chloro-1,2,3,3,4,5,5-heptafluoropent-1-ene
CID 146624735
(Z)-1,2-dichloro-1,2-difluoroethene
CID 2736814
1,1,1,4-tetrafluoro-2,2-bis(trifluoromethyl)butane
CID 177246313
1,1-dibromo-1,3-difluoropropane
CID 165362218
1,1,4,4-tetrachloro-1,4-difluorobutane
CID 19764101

Frequently Asked Questions

What is the IUPAC name of 1,3-dichloro-1,2,3,4,4,6-hexafluorohex-1-ene?
The IUPAC name of 1,3-dichloro-1,2,3,4,4,6-hexafluorohex-1-ene (CID 154388896) is 1,3-dichloro-1,2,3,4,4,6-hexafluorohex-1-ene.
What is the SMILES notation for 1,3-dichloro-1,2,3,4,4,6-hexafluorohex-1-ene?
The canonical SMILES for 1,3-dichloro-1,2,3,4,4,6-hexafluorohex-1-ene is FCCC(F)(F)C(F)(Cl)C(F)=C(F)Cl.
What is the InChIKey of 1,3-dichloro-1,2,3,4,4,6-hexafluorohex-1-ene?
The InChIKey is IGQDVRVKRQDBQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4Cl2F6/c7-4(11)3(10)6(8,14)5(12,13)1-2-9/h1-2H2.
What are the key properties of 1,3-dichloro-1,2,3,4,4,6-hexafluorohex-1-ene?
1,3-dichloro-1,2,3,4,4,6-hexafluorohex-1-ene has a molecular weight of 260.99 g/mol, XLogP of 4.23, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dichloro-1,2,3,4,4,6-hexafluorohex-1-ene is sourced from PubChem (CID 154388896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).