(9Z,11Z)-9-ethenyl-1,1,1,2,2,3,3-heptafluorotrideca-9,11-dien-4-ol

C15H19F7O — CID 145487541

IUPAC(9Z,11Z)-9-ethenyl-1,1,1,2,2,3,3-heptafluorotrideca-9,11-dien-4-ol
SMILESC=C/C(=C\C=C/C)CCCCC(O)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C15H19F7O/c1-3-5-8-11(4-2)9-6-7-10-12(23)13(16,17)14(18,19)15(20,21)22/h3-5,8,12,23H,2,6-7,9-10H2,1H3/b5-3-,11-8+
InChIKeyPNMVNCBUBQISQI-NJHUYJSNSA-N
MW348.30 g/mol
LogP5.43
Rot. Bonds9

About (9Z,11Z)-9-ethenyl-1,1,1,2,2,3,3-heptafluorotrideca-9,11-dien-4-ol

(9Z,11Z)-9-ethenyl-1,1,1,2,2,3,3-heptafluorotrideca-9,11-dien-4-ol (PubChem CID 145487541) has the molecular formula C15H19F7O and a molecular weight of 348.30 g/mol. Its IUPAC name is (9Z,11Z)-9-ethenyl-1,1,1,2,2,3,3-heptafluorotrideca-9,11-dien-4-ol.

Molecular Properties

Compound Name(9Z,11Z)-9-ethenyl-1,1,1,2,2,3,3-heptafluorotrideca-9,11-dien-4-ol
PubChem CID145487541
Molecular FormulaC15H19F7O
Molecular Weight348.30 g/mol
Exact Mass348.13
IUPAC Name(9Z,11Z)-9-ethenyl-1,1,1,2,2,3,3-heptafluorotrideca-9,11-dien-4-ol
SMILESC=C/C(=C\C=C/C)CCCCC(O)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C15H19F7O/c1-3-5-8-11(4-2)9-6-7-10-12(23)13(16,17)14(18,19)15(20,21)22/h3-5,8,12,23H,2,6-7,9-10H2,1H3/b5-3-,11-8+
InChIKeyPNMVNCBUBQISQI-NJHUYJSNSA-N
XLogP5.43
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.30
LogP ≤ 55.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (9Z,11Z)-9-ethenyl-1,1,1,2,2,3,3-heptafluorotrideca-9,11-dien-4-ol?
The IUPAC name of (9Z,11Z)-9-ethenyl-1,1,1,2,2,3,3-heptafluorotrideca-9,11-dien-4-ol (CID 145487541) is (9Z,11Z)-9-ethenyl-1,1,1,2,2,3,3-heptafluorotrideca-9,11-dien-4-ol.
What is the SMILES notation for (9Z,11Z)-9-ethenyl-1,1,1,2,2,3,3-heptafluorotrideca-9,11-dien-4-ol?
The canonical SMILES for (9Z,11Z)-9-ethenyl-1,1,1,2,2,3,3-heptafluorotrideca-9,11-dien-4-ol is C=C/C(=C\C=C/C)CCCCC(O)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of (9Z,11Z)-9-ethenyl-1,1,1,2,2,3,3-heptafluorotrideca-9,11-dien-4-ol?
The InChIKey is PNMVNCBUBQISQI-NJHUYJSNSA-N. The full InChI is InChI=1S/C15H19F7O/c1-3-5-8-11(4-2)9-6-7-10-12(23)13(16,17)14(18,19)15(20,21)22/h3-5,8,12,23H,2,6-7,9-10H2,1H3/b5-3-,11-8+.
What are the key properties of (9Z,11Z)-9-ethenyl-1,1,1,2,2,3,3-heptafluorotrideca-9,11-dien-4-ol?
(9Z,11Z)-9-ethenyl-1,1,1,2,2,3,3-heptafluorotrideca-9,11-dien-4-ol has a molecular weight of 348.30 g/mol, XLogP of 5.43, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (9Z,11Z)-9-ethenyl-1,1,1,2,2,3,3-heptafluorotrideca-9,11-dien-4-ol is sourced from PubChem (CID 145487541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).