1,1,1,2-tetrafluoro-3-methylidene-2-(trifluoromethyl)nonane

C11H15F7 — CID 23190442

IUPAC1,1,1,2-tetrafluoro-3-methylidene-2-(trifluoromethyl)nonane
SMILESC=C(CCCCCC)C(F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C11H15F7/c1-3-4-5-6-7-8(2)9(12,10(13,14)15)11(16,17)18/h2-7H2,1H3
InChIKeyNTWOJEWYEPNLKD-UHFFFAOYSA-N
MW280.23 g/mol
LogP5.35
Rot. Bonds6

About 1,1,1,2-tetrafluoro-3-methylidene-2-(trifluoromethyl)nonane

1,1,1,2-tetrafluoro-3-methylidene-2-(trifluoromethyl)nonane (PubChem CID 23190442) has the molecular formula C11H15F7 and a molecular weight of 280.23 g/mol. Its IUPAC name is 1,1,1,2-tetrafluoro-3-methylidene-2-(trifluoromethyl)nonane.

Molecular Properties

Compound Name1,1,1,2-tetrafluoro-3-methylidene-2-(trifluoromethyl)nonane
PubChem CID23190442
Molecular FormulaC11H15F7
Molecular Weight280.23 g/mol
Exact Mass280.11
IUPAC Name1,1,1,2-tetrafluoro-3-methylidene-2-(trifluoromethyl)nonane
SMILESC=C(CCCCCC)C(F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C11H15F7/c1-3-4-5-6-7-8(2)9(12,10(13,14)15)11(16,17)18/h2-7H2,1H3
InChIKeyNTWOJEWYEPNLKD-UHFFFAOYSA-N
XLogP5.35
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500280.23
LogP ≤ 55.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,1,1,2-tetrafluoro-3-methylidene-2-(trifluoromethyl)nonane?
The IUPAC name of 1,1,1,2-tetrafluoro-3-methylidene-2-(trifluoromethyl)nonane (CID 23190442) is 1,1,1,2-tetrafluoro-3-methylidene-2-(trifluoromethyl)nonane.
What is the SMILES notation for 1,1,1,2-tetrafluoro-3-methylidene-2-(trifluoromethyl)nonane?
The canonical SMILES for 1,1,1,2-tetrafluoro-3-methylidene-2-(trifluoromethyl)nonane is C=C(CCCCCC)C(F)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1,1,1,2-tetrafluoro-3-methylidene-2-(trifluoromethyl)nonane?
The InChIKey is NTWOJEWYEPNLKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F7/c1-3-4-5-6-7-8(2)9(12,10(13,14)15)11(16,17)18/h2-7H2,1H3.
What are the key properties of 1,1,1,2-tetrafluoro-3-methylidene-2-(trifluoromethyl)nonane?
1,1,1,2-tetrafluoro-3-methylidene-2-(trifluoromethyl)nonane has a molecular weight of 280.23 g/mol, XLogP of 5.35, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,2-tetrafluoro-3-methylidene-2-(trifluoromethyl)nonane is sourced from PubChem (CID 23190442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).