(E)-1-chloro-3,3,4,4,5,5,6,6,6-nonafluorohex-1-ene

C6H2ClF9 — CID 87213507

IUPAC(E)-1-chloro-3,3,4,4,5,5,6,6,6-nonafluorohex-1-ene
SMILESFC(F)(F)C(F)(F)C(F)(F)C(F)(F)/C=C/Cl
InChIInChI=1S/C6H2ClF9/c7-2-1-3(8,9)4(10,11)5(12,13)6(14,15)16/h1-2H/b2-1+
InChIKeyZRUPOJGEYFUDHB-OWOJBTEDSA-N
MW280.52 g/mol
LogP4.21
Rot. Bonds3

About (E)-1-chloro-3,3,4,4,5,5,6,6,6-nonafluorohex-1-ene

(E)-1-chloro-3,3,4,4,5,5,6,6,6-nonafluorohex-1-ene (PubChem CID 87213507) has the molecular formula C6H2ClF9 and a molecular weight of 280.52 g/mol. Its IUPAC name is (E)-1-chloro-3,3,4,4,5,5,6,6,6-nonafluorohex-1-ene.

Molecular Properties

Compound Name(E)-1-chloro-3,3,4,4,5,5,6,6,6-nonafluorohex-1-ene
PubChem CID87213507
Molecular FormulaC6H2ClF9
Molecular Weight280.52 g/mol
Exact Mass279.97
IUPAC Name(E)-1-chloro-3,3,4,4,5,5,6,6,6-nonafluorohex-1-ene
SMILESFC(F)(F)C(F)(F)C(F)(F)C(F)(F)/C=C/Cl
InChIInChI=1S/C6H2ClF9/c7-2-1-3(8,9)4(10,11)5(12,13)6(14,15)16/h1-2H/b2-1+
InChIKeyZRUPOJGEYFUDHB-OWOJBTEDSA-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 (E)-1-chloro-3,3,4,4,5,5,6,6,6-nonafluorohex-1-ene?
The IUPAC name of (E)-1-chloro-3,3,4,4,5,5,6,6,6-nonafluorohex-1-ene (CID 87213507) is (E)-1-chloro-3,3,4,4,5,5,6,6,6-nonafluorohex-1-ene.
What is the SMILES notation for (E)-1-chloro-3,3,4,4,5,5,6,6,6-nonafluorohex-1-ene?
The canonical SMILES for (E)-1-chloro-3,3,4,4,5,5,6,6,6-nonafluorohex-1-ene is FC(F)(F)C(F)(F)C(F)(F)C(F)(F)/C=C/Cl.
What is the InChIKey of (E)-1-chloro-3,3,4,4,5,5,6,6,6-nonafluorohex-1-ene?
The InChIKey is ZRUPOJGEYFUDHB-OWOJBTEDSA-N. The full InChI is InChI=1S/C6H2ClF9/c7-2-1-3(8,9)4(10,11)5(12,13)6(14,15)16/h1-2H/b2-1+.
What are the key properties of (E)-1-chloro-3,3,4,4,5,5,6,6,6-nonafluorohex-1-ene?
(E)-1-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 (E)-1-chloro-3,3,4,4,5,5,6,6,6-nonafluorohex-1-ene is sourced from PubChem (CID 87213507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).