4,6,8,9-tetrachloro-1,1,2,3,3,4,5,5,6,7,7,8,9,9-tetradecafluoronon-1-ene

C9Cl4F14 — CID 162539017

IUPAC4,6,8,9-tetrachloro-1,1,2,3,3,4,5,5,6,7,7,8,9,9-tetradecafluoronon-1-ene
SMILESFC(F)=C(F)C(F)(F)C(F)(Cl)C(F)(F)C(F)(Cl)C(F)(F)C(F)(Cl)C(F)(F)Cl
InChIInChI=1S/C9Cl4F14/c10-4(19,3(17,18)1(14)2(15)16)7(22,23)5(11,20)8(24,25)6(12,21)9(13,26)27
InChIKeyUOKARGYGYAOBMJ-UHFFFAOYSA-N
MW515.88 g/mol
LogP7.52
Rot. Bonds7

About 4,6,8,9-tetrachloro-1,1,2,3,3,4,5,5,6,7,7,8,9,9-tetradecafluoronon-1-ene

4,6,8,9-tetrachloro-1,1,2,3,3,4,5,5,6,7,7,8,9,9-tetradecafluoronon-1-ene (PubChem CID 162539017) has the molecular formula C9Cl4F14 and a molecular weight of 515.88 g/mol. Its IUPAC name is 4,6,8,9-tetrachloro-1,1,2,3,3,4,5,5,6,7,7,8,9,9-tetradecafluoronon-1-ene.

Molecular Properties

Compound Name4,6,8,9-tetrachloro-1,1,2,3,3,4,5,5,6,7,7,8,9,9-tetradecafluoronon-1-ene
PubChem CID162539017
Molecular FormulaC9Cl4F14
Molecular Weight515.88 g/mol
Exact Mass513.85
IUPAC Name4,6,8,9-tetrachloro-1,1,2,3,3,4,5,5,6,7,7,8,9,9-tetradecafluoronon-1-ene
SMILESFC(F)=C(F)C(F)(F)C(F)(Cl)C(F)(F)C(F)(Cl)C(F)(F)C(F)(Cl)C(F)(F)Cl
InChIInChI=1S/C9Cl4F14/c10-4(19,3(17,18)1(14)2(15)16)7(22,23)5(11,20)8(24,25)6(12,21)9(13,26)27
InChIKeyUOKARGYGYAOBMJ-UHFFFAOYSA-N
XLogP7.52
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500515.88
LogP ≤ 57.52
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

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1,2,4,6,8,8-hexachloro-1,1,2,3,3,4,5,5,6,7,7-undecafluorooctane
CID 154298339
1,1,2,3,3,4,4,5,5,5-decafluoropent-1-ene;dihydrate
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(2S,3S)-1,2,3,4-tetrachloro-1,1,2,3,4,4-hexafluorobutane
CID 98047490
1,2-dichloro-1,1,2,3,3,4,5,5,5-nonafluoro-4-(1,2,2-trifluoroethenoxy)pentane
CID 87882096
4,4-dichloro-1,1,2,3,3-pentafluoro-4-(1,2,2-trifluoroethenoxy)but-1-ene
CID 15510226
1,1,2,3,3,4,4,5,5-nonafluoro-5-(1,2,2-trifluoroethenoxy)pent-1-ene
CID 14496010
1,1,2,3,3,4,4,5,5-nonafluoro-5-(1,1,2,2,3,3,4,5,5-nonafluoropent-4-enoxy)pent-1-ene
CID 87892167
1,1,2,3,3,4,4,5,5,6,6-undecafluorohept-1-ene
CID 87084377
3,4,4,4-tetrachloro-1,1,2,3-tetrafluorobut-1-ene
CID 13031271
1-bromo-3,4-dichloro-1,1,2,2,3,4,4-heptafluorobutane
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Frequently Asked Questions

What is the IUPAC name of 4,6,8,9-tetrachloro-1,1,2,3,3,4,5,5,6,7,7,8,9,9-tetradecafluoronon-1-ene?
The IUPAC name of 4,6,8,9-tetrachloro-1,1,2,3,3,4,5,5,6,7,7,8,9,9-tetradecafluoronon-1-ene (CID 162539017) is 4,6,8,9-tetrachloro-1,1,2,3,3,4,5,5,6,7,7,8,9,9-tetradecafluoronon-1-ene.
What is the SMILES notation for 4,6,8,9-tetrachloro-1,1,2,3,3,4,5,5,6,7,7,8,9,9-tetradecafluoronon-1-ene?
The canonical SMILES for 4,6,8,9-tetrachloro-1,1,2,3,3,4,5,5,6,7,7,8,9,9-tetradecafluoronon-1-ene is FC(F)=C(F)C(F)(F)C(F)(Cl)C(F)(F)C(F)(Cl)C(F)(F)C(F)(Cl)C(F)(F)Cl.
What is the InChIKey of 4,6,8,9-tetrachloro-1,1,2,3,3,4,5,5,6,7,7,8,9,9-tetradecafluoronon-1-ene?
The InChIKey is UOKARGYGYAOBMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9Cl4F14/c10-4(19,3(17,18)1(14)2(15)16)7(22,23)5(11,20)8(24,25)6(12,21)9(13,26)27.
What are the key properties of 4,6,8,9-tetrachloro-1,1,2,3,3,4,5,5,6,7,7,8,9,9-tetradecafluoronon-1-ene?
4,6,8,9-tetrachloro-1,1,2,3,3,4,5,5,6,7,7,8,9,9-tetradecafluoronon-1-ene has a molecular weight of 515.88 g/mol, XLogP of 7.52, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6,8,9-tetrachloro-1,1,2,3,3,4,5,5,6,7,7,8,9,9-tetradecafluoronon-1-ene is sourced from PubChem (CID 162539017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).