1,1,1-trifluoro-8-methylnon-4-ene

C10H17F3 — CID 123891498

IUPAC1,1,1-trifluoro-8-methylnon-4-ene
SMILESCC(C)CCC=CCCC(F)(F)F
InChIInChI=1S/C10H17F3/c1-9(2)7-5-3-4-6-8-10(11,12)13/h3-4,9H,5-8H2,1-2H3
InChIKeyYTLXNTWOAUYLER-UHFFFAOYSA-N
MW194.24 g/mol
LogP4.32
Rot. Bonds5

About 1,1,1-trifluoro-8-methylnon-4-ene

1,1,1-trifluoro-8-methylnon-4-ene (PubChem CID 123891498) has the molecular formula C10H17F3 and a molecular weight of 194.24 g/mol. Its IUPAC name is 1,1,1-trifluoro-8-methylnon-4-ene.

Molecular Properties

Compound Name1,1,1-trifluoro-8-methylnon-4-ene
PubChem CID123891498
Molecular FormulaC10H17F3
Molecular Weight194.24 g/mol
Exact Mass194.13
IUPAC Name1,1,1-trifluoro-8-methylnon-4-ene
SMILESCC(C)CCC=CCCC(F)(F)F
InChIInChI=1S/C10H17F3/c1-9(2)7-5-3-4-6-8-10(11,12)13/h3-4,9H,5-8H2,1-2H3
InChIKeyYTLXNTWOAUYLER-UHFFFAOYSA-N
XLogP4.32
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.24
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-8-methylnon-4-ene?
The IUPAC name of 1,1,1-trifluoro-8-methylnon-4-ene (CID 123891498) is 1,1,1-trifluoro-8-methylnon-4-ene.
What is the SMILES notation for 1,1,1-trifluoro-8-methylnon-4-ene?
The canonical SMILES for 1,1,1-trifluoro-8-methylnon-4-ene is CC(C)CCC=CCCC(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-8-methylnon-4-ene?
The InChIKey is YTLXNTWOAUYLER-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3/c1-9(2)7-5-3-4-6-8-10(11,12)13/h3-4,9H,5-8H2,1-2H3.
What are the key properties of 1,1,1-trifluoro-8-methylnon-4-ene?
1,1,1-trifluoro-8-methylnon-4-ene has a molecular weight of 194.24 g/mol, XLogP of 4.32, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-8-methylnon-4-ene is sourced from PubChem (CID 123891498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).