(4E,6E)-9-fluoro-2,5,9-trimethyl-6-[(Z)-prop-1-enyl]deca-2,4,6-triene

C16H25F — CID 126586971

IUPAC(4E,6E)-9-fluoro-2,5,9-trimethyl-6-[(Z)-prop-1-enyl]deca-2,4,6-triene
SMILESC/C=C\C(=C/CC(C)(C)F)\C(C)=C\C=C(C)C
InChIInChI=1S/C16H25F/c1-7-8-15(11-12-16(5,6)17)14(4)10-9-13(2)3/h7-11H,12H2,1-6H3/b8-7-,14-10+,15-11+
InChIKeyBNCZAWIFZYHTJM-ZFEFXFFSSA-N
MW236.37 g/mol
LogP5.54
Rot. Bonds5

About (4E,6E)-9-fluoro-2,5,9-trimethyl-6-[(Z)-prop-1-enyl]deca-2,4,6-triene

(4E,6E)-9-fluoro-2,5,9-trimethyl-6-[(Z)-prop-1-enyl]deca-2,4,6-triene (PubChem CID 126586971) has the molecular formula C16H25F and a molecular weight of 236.37 g/mol. Its IUPAC name is (4E,6E)-9-fluoro-2,5,9-trimethyl-6-[(Z)-prop-1-enyl]deca-2,4,6-triene.

Molecular Properties

Compound Name(4E,6E)-9-fluoro-2,5,9-trimethyl-6-[(Z)-prop-1-enyl]deca-2,4,6-triene
PubChem CID126586971
Molecular FormulaC16H25F
Molecular Weight236.37 g/mol
Exact Mass236.19
IUPAC Name(4E,6E)-9-fluoro-2,5,9-trimethyl-6-[(Z)-prop-1-enyl]deca-2,4,6-triene
SMILESC/C=C\C(=C/CC(C)(C)F)\C(C)=C\C=C(C)C
InChIInChI=1S/C16H25F/c1-7-8-15(11-12-16(5,6)17)14(4)10-9-13(2)3/h7-11H,12H2,1-6H3/b8-7-,14-10+,15-11+
InChIKeyBNCZAWIFZYHTJM-ZFEFXFFSSA-N
XLogP5.54
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500236.37
LogP ≤ 55.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4E,6E)-9-fluoro-2,5,9-trimethyl-6-[(Z)-prop-1-enyl]deca-2,4,6-triene?
The IUPAC name of (4E,6E)-9-fluoro-2,5,9-trimethyl-6-[(Z)-prop-1-enyl]deca-2,4,6-triene (CID 126586971) is (4E,6E)-9-fluoro-2,5,9-trimethyl-6-[(Z)-prop-1-enyl]deca-2,4,6-triene.
What is the SMILES notation for (4E,6E)-9-fluoro-2,5,9-trimethyl-6-[(Z)-prop-1-enyl]deca-2,4,6-triene?
The canonical SMILES for (4E,6E)-9-fluoro-2,5,9-trimethyl-6-[(Z)-prop-1-enyl]deca-2,4,6-triene is C/C=C\C(=C/CC(C)(C)F)\C(C)=C\C=C(C)C.
What is the InChIKey of (4E,6E)-9-fluoro-2,5,9-trimethyl-6-[(Z)-prop-1-enyl]deca-2,4,6-triene?
The InChIKey is BNCZAWIFZYHTJM-ZFEFXFFSSA-N. The full InChI is InChI=1S/C16H25F/c1-7-8-15(11-12-16(5,6)17)14(4)10-9-13(2)3/h7-11H,12H2,1-6H3/b8-7-,14-10+,15-11+.
What are the key properties of (4E,6E)-9-fluoro-2,5,9-trimethyl-6-[(Z)-prop-1-enyl]deca-2,4,6-triene?
(4E,6E)-9-fluoro-2,5,9-trimethyl-6-[(Z)-prop-1-enyl]deca-2,4,6-triene has a molecular weight of 236.37 g/mol, XLogP of 5.54, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (4E,6E)-9-fluoro-2,5,9-trimethyl-6-[(Z)-prop-1-enyl]deca-2,4,6-triene is sourced from PubChem (CID 126586971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).