5-(2,2,2-trifluoroethylidene)nonane

C11H19F3 — CID 121217681

IUPAC5-(2,2,2-trifluoroethylidene)nonane
SMILESCCCCC(=CC(F)(F)F)CCCC
InChIInChI=1S/C11H19F3/c1-3-5-7-10(8-6-4-2)9-11(12,13)14/h9H,3-8H2,1-2H3
InChIKeyWNYFKLFAVZQFQU-UHFFFAOYSA-N
MW208.27 g/mol
LogP4.86
Rot. Bonds6

About 5-(2,2,2-trifluoroethylidene)nonane

5-(2,2,2-trifluoroethylidene)nonane (PubChem CID 121217681) has the molecular formula C11H19F3 and a molecular weight of 208.27 g/mol. Its IUPAC name is 5-(2,2,2-trifluoroethylidene)nonane.

Molecular Properties

Compound Name5-(2,2,2-trifluoroethylidene)nonane
PubChem CID121217681
Molecular FormulaC11H19F3
Molecular Weight208.27 g/mol
Exact Mass208.14
IUPAC Name5-(2,2,2-trifluoroethylidene)nonane
SMILESCCCCC(=CC(F)(F)F)CCCC
InChIInChI=1S/C11H19F3/c1-3-5-7-10(8-6-4-2)9-11(12,13)14/h9H,3-8H2,1-2H3
InChIKeyWNYFKLFAVZQFQU-UHFFFAOYSA-N
XLogP4.86
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.27
LogP ≤ 54.86
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 5-(2,2,2-trifluoroethylidene)nonane?
The IUPAC name of 5-(2,2,2-trifluoroethylidene)nonane (CID 121217681) is 5-(2,2,2-trifluoroethylidene)nonane.
What is the SMILES notation for 5-(2,2,2-trifluoroethylidene)nonane?
The canonical SMILES for 5-(2,2,2-trifluoroethylidene)nonane is CCCCC(=CC(F)(F)F)CCCC.
What is the InChIKey of 5-(2,2,2-trifluoroethylidene)nonane?
The InChIKey is WNYFKLFAVZQFQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F3/c1-3-5-7-10(8-6-4-2)9-11(12,13)14/h9H,3-8H2,1-2H3.
What are the key properties of 5-(2,2,2-trifluoroethylidene)nonane?
5-(2,2,2-trifluoroethylidene)nonane has a molecular weight of 208.27 g/mol, XLogP of 4.86, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,2,2-trifluoroethylidene)nonane is sourced from PubChem (CID 121217681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).