6-(fluoromethyl)-3,3,5,5,7,7,9-heptamethylundeca-1,10-diene

C19H35F — CID 89215915

IUPAC6-(fluoromethyl)-3,3,5,5,7,7,9-heptamethylundeca-1,10-diene
SMILESC=CC(C)CC(C)(C)C(CF)C(C)(C)CC(C)(C)C=C
InChIInChI=1S/C19H35F/c1-10-15(3)12-18(6,7)16(13-20)19(8,9)14-17(4,5)11-2/h10-11,15-16H,1-2,12-14H2,3-9H3
InChIKeyFINHCGUOSCMEAB-UHFFFAOYSA-N
MW282.49 g/mol
LogP6.44
Rot. Bonds9

About 6-(fluoromethyl)-3,3,5,5,7,7,9-heptamethylundeca-1,10-diene

6-(fluoromethyl)-3,3,5,5,7,7,9-heptamethylundeca-1,10-diene (PubChem CID 89215915) has the molecular formula C19H35F and a molecular weight of 282.49 g/mol. Its IUPAC name is 6-(fluoromethyl)-3,3,5,5,7,7,9-heptamethylundeca-1,10-diene.

Molecular Properties

Compound Name6-(fluoromethyl)-3,3,5,5,7,7,9-heptamethylundeca-1,10-diene
PubChem CID89215915
Molecular FormulaC19H35F
Molecular Weight282.49 g/mol
Exact Mass282.27
IUPAC Name6-(fluoromethyl)-3,3,5,5,7,7,9-heptamethylundeca-1,10-diene
SMILESC=CC(C)CC(C)(C)C(CF)C(C)(C)CC(C)(C)C=C
InChIInChI=1S/C19H35F/c1-10-15(3)12-18(6,7)16(13-20)19(8,9)14-17(4,5)11-2/h10-11,15-16H,1-2,12-14H2,3-9H3
InChIKeyFINHCGUOSCMEAB-UHFFFAOYSA-N
XLogP6.44
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500282.49
LogP ≤ 56.44
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 6-(fluoromethyl)-3,3,5,5,7,7,9-heptamethylundeca-1,10-diene?
The IUPAC name of 6-(fluoromethyl)-3,3,5,5,7,7,9-heptamethylundeca-1,10-diene (CID 89215915) is 6-(fluoromethyl)-3,3,5,5,7,7,9-heptamethylundeca-1,10-diene.
What is the SMILES notation for 6-(fluoromethyl)-3,3,5,5,7,7,9-heptamethylundeca-1,10-diene?
The canonical SMILES for 6-(fluoromethyl)-3,3,5,5,7,7,9-heptamethylundeca-1,10-diene is C=CC(C)CC(C)(C)C(CF)C(C)(C)CC(C)(C)C=C.
What is the InChIKey of 6-(fluoromethyl)-3,3,5,5,7,7,9-heptamethylundeca-1,10-diene?
The InChIKey is FINHCGUOSCMEAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H35F/c1-10-15(3)12-18(6,7)16(13-20)19(8,9)14-17(4,5)11-2/h10-11,15-16H,1-2,12-14H2,3-9H3.
What are the key properties of 6-(fluoromethyl)-3,3,5,5,7,7,9-heptamethylundeca-1,10-diene?
6-(fluoromethyl)-3,3,5,5,7,7,9-heptamethylundeca-1,10-diene has a molecular weight of 282.49 g/mol, XLogP of 6.44, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(fluoromethyl)-3,3,5,5,7,7,9-heptamethylundeca-1,10-diene is sourced from PubChem (CID 89215915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).