1,1,3,4,4,5,6,6,6-nonafluoro-2,3,5-trimethylhex-1-ene

C9H9F9 — CID 22016472

IUPAC1,1,3,4,4,5,6,6,6-nonafluoro-2,3,5-trimethylhex-1-ene
SMILESCC(=C(F)F)C(C)(F)C(F)(F)C(C)(F)C(F)(F)F
InChIInChI=1S/C9H9F9/c1-4(5(10)11)6(2,12)8(14,15)7(3,13)9(16,17)18/h1-3H3
InChIKeySPVPFXNRDIDXNC-UHFFFAOYSA-N
MW288.15 g/mol
LogP4.81
Rot. Bonds3

About 1,1,3,4,4,5,6,6,6-nonafluoro-2,3,5-trimethylhex-1-ene

1,1,3,4,4,5,6,6,6-nonafluoro-2,3,5-trimethylhex-1-ene (PubChem CID 22016472) has the molecular formula C9H9F9 and a molecular weight of 288.15 g/mol. Its IUPAC name is 1,1,3,4,4,5,6,6,6-nonafluoro-2,3,5-trimethylhex-1-ene.

Molecular Properties

Compound Name1,1,3,4,4,5,6,6,6-nonafluoro-2,3,5-trimethylhex-1-ene
PubChem CID22016472
Molecular FormulaC9H9F9
Molecular Weight288.15 g/mol
Exact Mass288.06
IUPAC Name1,1,3,4,4,5,6,6,6-nonafluoro-2,3,5-trimethylhex-1-ene
SMILESCC(=C(F)F)C(C)(F)C(F)(F)C(C)(F)C(F)(F)F
InChIInChI=1S/C9H9F9/c1-4(5(10)11)6(2,12)8(14,15)7(3,13)9(16,17)18/h1-3H3
InChIKeySPVPFXNRDIDXNC-UHFFFAOYSA-N
XLogP4.81
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.15
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1,1,3,4,4,5,6,6,6-nonafluoro-2,3,5-trimethylhex-1-ene?
The IUPAC name of 1,1,3,4,4,5,6,6,6-nonafluoro-2,3,5-trimethylhex-1-ene (CID 22016472) is 1,1,3,4,4,5,6,6,6-nonafluoro-2,3,5-trimethylhex-1-ene.
What is the SMILES notation for 1,1,3,4,4,5,6,6,6-nonafluoro-2,3,5-trimethylhex-1-ene?
The canonical SMILES for 1,1,3,4,4,5,6,6,6-nonafluoro-2,3,5-trimethylhex-1-ene is CC(=C(F)F)C(C)(F)C(F)(F)C(C)(F)C(F)(F)F.
What is the InChIKey of 1,1,3,4,4,5,6,6,6-nonafluoro-2,3,5-trimethylhex-1-ene?
The InChIKey is SPVPFXNRDIDXNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F9/c1-4(5(10)11)6(2,12)8(14,15)7(3,13)9(16,17)18/h1-3H3.
What are the key properties of 1,1,3,4,4,5,6,6,6-nonafluoro-2,3,5-trimethylhex-1-ene?
1,1,3,4,4,5,6,6,6-nonafluoro-2,3,5-trimethylhex-1-ene has a molecular weight of 288.15 g/mol, XLogP of 4.81, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,3,4,4,5,6,6,6-nonafluoro-2,3,5-trimethylhex-1-ene is sourced from PubChem (CID 22016472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).