7-fluoro-7-hex-5-enoxytrideca-1,12-diene

C19H33FO — CID 122631409

IUPAC7-fluoro-7-hex-5-enoxytrideca-1,12-diene
SMILESC=CCCCCOC(F)(CCCCC=C)CCCCC=C
InChIInChI=1S/C19H33FO/c1-4-7-10-13-16-19(20,17-14-11-8-5-2)21-18-15-12-9-6-3/h4-6H,1-3,7-18H2
InChIKeyIITPGCVYBBFIMT-UHFFFAOYSA-N
MW296.47 g/mol
LogP6.52
Rot. Bonds16

About 7-fluoro-7-hex-5-enoxytrideca-1,12-diene

7-fluoro-7-hex-5-enoxytrideca-1,12-diene (PubChem CID 122631409) has the molecular formula C19H33FO and a molecular weight of 296.47 g/mol. Its IUPAC name is 7-fluoro-7-hex-5-enoxytrideca-1,12-diene.

Molecular Properties

Compound Name7-fluoro-7-hex-5-enoxytrideca-1,12-diene
PubChem CID122631409
Molecular FormulaC19H33FO
Molecular Weight296.47 g/mol
Exact Mass296.25
IUPAC Name7-fluoro-7-hex-5-enoxytrideca-1,12-diene
SMILESC=CCCCCOC(F)(CCCCC=C)CCCCC=C
InChIInChI=1S/C19H33FO/c1-4-7-10-13-16-19(20,17-14-11-8-5-2)21-18-15-12-9-6-3/h4-6H,1-3,7-18H2
InChIKeyIITPGCVYBBFIMT-UHFFFAOYSA-N
XLogP6.52
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds16
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500296.47
LogP ≤ 56.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 7-fluoro-7-hex-5-enoxytrideca-1,12-diene?
The IUPAC name of 7-fluoro-7-hex-5-enoxytrideca-1,12-diene (CID 122631409) is 7-fluoro-7-hex-5-enoxytrideca-1,12-diene.
What is the SMILES notation for 7-fluoro-7-hex-5-enoxytrideca-1,12-diene?
The canonical SMILES for 7-fluoro-7-hex-5-enoxytrideca-1,12-diene is C=CCCCCOC(F)(CCCCC=C)CCCCC=C.
What is the InChIKey of 7-fluoro-7-hex-5-enoxytrideca-1,12-diene?
The InChIKey is IITPGCVYBBFIMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33FO/c1-4-7-10-13-16-19(20,17-14-11-8-5-2)21-18-15-12-9-6-3/h4-6H,1-3,7-18H2.
What are the key properties of 7-fluoro-7-hex-5-enoxytrideca-1,12-diene?
7-fluoro-7-hex-5-enoxytrideca-1,12-diene has a molecular weight of 296.47 g/mol, XLogP of 6.52, 16 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-7-hex-5-enoxytrideca-1,12-diene is sourced from PubChem (CID 122631409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).