(1Z)-1-fluoro-3,7,11-trimethyldodeca-1,6,10-triene

C15H25F — CID 91030681

IUPAC(1Z)-1-fluoro-3,7,11-trimethyldodeca-1,6,10-triene
SMILESCC(C)=CCCC(C)=CCCC(C)/C=C\F
InChIInChI=1S/C15H25F/c1-13(2)7-5-8-14(3)9-6-10-15(4)11-12-16/h7,9,11-12,15H,5-6,8,10H2,1-4H3/b12-11-,14-9?
InChIKeyYWZZRUHNIGJMJY-OKBTWZQFSA-N
MW224.36 g/mol
LogP5.58
Rot. Bonds7

About (1Z)-1-fluoro-3,7,11-trimethyldodeca-1,6,10-triene

(1Z)-1-fluoro-3,7,11-trimethyldodeca-1,6,10-triene (PubChem CID 91030681) has the molecular formula C15H25F and a molecular weight of 224.36 g/mol. Its IUPAC name is (1Z)-1-fluoro-3,7,11-trimethyldodeca-1,6,10-triene.

Molecular Properties

Compound Name(1Z)-1-fluoro-3,7,11-trimethyldodeca-1,6,10-triene
PubChem CID91030681
Molecular FormulaC15H25F
Molecular Weight224.36 g/mol
Exact Mass224.19
IUPAC Name(1Z)-1-fluoro-3,7,11-trimethyldodeca-1,6,10-triene
SMILESCC(C)=CCCC(C)=CCCC(C)/C=C\F
InChIInChI=1S/C15H25F/c1-13(2)7-5-8-14(3)9-6-10-15(4)11-12-16/h7,9,11-12,15H,5-6,8,10H2,1-4H3/b12-11-,14-9?
InChIKeyYWZZRUHNIGJMJY-OKBTWZQFSA-N
XLogP5.58
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500224.36
LogP ≤ 55.58
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 (1Z)-1-fluoro-3,7,11-trimethyldodeca-1,6,10-triene?
The IUPAC name of (1Z)-1-fluoro-3,7,11-trimethyldodeca-1,6,10-triene (CID 91030681) is (1Z)-1-fluoro-3,7,11-trimethyldodeca-1,6,10-triene.
What is the SMILES notation for (1Z)-1-fluoro-3,7,11-trimethyldodeca-1,6,10-triene?
The canonical SMILES for (1Z)-1-fluoro-3,7,11-trimethyldodeca-1,6,10-triene is CC(C)=CCCC(C)=CCCC(C)/C=C\F.
What is the InChIKey of (1Z)-1-fluoro-3,7,11-trimethyldodeca-1,6,10-triene?
The InChIKey is YWZZRUHNIGJMJY-OKBTWZQFSA-N. The full InChI is InChI=1S/C15H25F/c1-13(2)7-5-8-14(3)9-6-10-15(4)11-12-16/h7,9,11-12,15H,5-6,8,10H2,1-4H3/b12-11-,14-9?.
What are the key properties of (1Z)-1-fluoro-3,7,11-trimethyldodeca-1,6,10-triene?
(1Z)-1-fluoro-3,7,11-trimethyldodeca-1,6,10-triene has a molecular weight of 224.36 g/mol, XLogP of 5.58, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z)-1-fluoro-3,7,11-trimethyldodeca-1,6,10-triene is sourced from PubChem (CID 91030681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).