2-chloro-3,3,4,4,5,5,6,6,6-nonafluorohex-1-ene

C6H2ClF9 — CID 86160900

IUPAC2-chloro-3,3,4,4,5,5,6,6,6-nonafluorohex-1-ene
SMILESC=C(Cl)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C6H2ClF9/c1-2(7)3(8,9)4(10,11)5(12,13)6(14,15)16/h1H2
InChIKeyCVDYYPTVATXTLA-UHFFFAOYSA-N
MW280.52 g/mol
LogP4.21
Rot. Bonds3

About 2-chloro-3,3,4,4,5,5,6,6,6-nonafluorohex-1-ene

2-chloro-3,3,4,4,5,5,6,6,6-nonafluorohex-1-ene (PubChem CID 86160900) has the molecular formula C6H2ClF9 and a molecular weight of 280.52 g/mol. Its IUPAC name is 2-chloro-3,3,4,4,5,5,6,6,6-nonafluorohex-1-ene.

Molecular Properties

Compound Name2-chloro-3,3,4,4,5,5,6,6,6-nonafluorohex-1-ene
PubChem CID86160900
Molecular FormulaC6H2ClF9
Molecular Weight280.52 g/mol
Exact Mass279.97
IUPAC Name2-chloro-3,3,4,4,5,5,6,6,6-nonafluorohex-1-ene
SMILESC=C(Cl)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C6H2ClF9/c1-2(7)3(8,9)4(10,11)5(12,13)6(14,15)16/h1H2
InChIKeyCVDYYPTVATXTLA-UHFFFAOYSA-N
XLogP4.21
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.52
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-3,3,4,4,5,5,6,6,6-nonafluorohex-1-ene?
The IUPAC name of 2-chloro-3,3,4,4,5,5,6,6,6-nonafluorohex-1-ene (CID 86160900) is 2-chloro-3,3,4,4,5,5,6,6,6-nonafluorohex-1-ene.
What is the SMILES notation for 2-chloro-3,3,4,4,5,5,6,6,6-nonafluorohex-1-ene?
The canonical SMILES for 2-chloro-3,3,4,4,5,5,6,6,6-nonafluorohex-1-ene is C=C(Cl)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 2-chloro-3,3,4,4,5,5,6,6,6-nonafluorohex-1-ene?
The InChIKey is CVDYYPTVATXTLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H2ClF9/c1-2(7)3(8,9)4(10,11)5(12,13)6(14,15)16/h1H2.
What are the key properties of 2-chloro-3,3,4,4,5,5,6,6,6-nonafluorohex-1-ene?
2-chloro-3,3,4,4,5,5,6,6,6-nonafluorohex-1-ene has a molecular weight of 280.52 g/mol, XLogP of 4.21, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3,3,4,4,5,5,6,6,6-nonafluorohex-1-ene is sourced from PubChem (CID 86160900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).