(10E,12E)-10-fluoropentadeca-10,12-dien-1-ol

C15H27FO — CID 11010139

IUPAC(10E,12E)-10-fluoropentadeca-10,12-dien-1-ol
SMILESCC/C=C/C=C(/F)CCCCCCCCCO
InChIInChI=1S/C15H27FO/c1-2-3-9-12-15(16)13-10-7-5-4-6-8-11-14-17/h3,9,12,17H,2,4-8,10-11,13-14H2,1H3/b9-3+,15-12+
InChIKeyCNCAZZVGGYVTAT-BMINPVPVSA-N
MW242.38 g/mol
LogP4.92
Rot. Bonds11

About (10E,12E)-10-fluoropentadeca-10,12-dien-1-ol

(10E,12E)-10-fluoropentadeca-10,12-dien-1-ol (PubChem CID 11010139) has the molecular formula C15H27FO and a molecular weight of 242.38 g/mol. Its IUPAC name is (10E,12E)-10-fluoropentadeca-10,12-dien-1-ol.

Molecular Properties

Compound Name(10E,12E)-10-fluoropentadeca-10,12-dien-1-ol
PubChem CID11010139
Molecular FormulaC15H27FO
Molecular Weight242.38 g/mol
Exact Mass242.20
IUPAC Name(10E,12E)-10-fluoropentadeca-10,12-dien-1-ol
SMILESCC/C=C/C=C(/F)CCCCCCCCCO
InChIInChI=1S/C15H27FO/c1-2-3-9-12-15(16)13-10-7-5-4-6-8-11-14-17/h3,9,12,17H,2,4-8,10-11,13-14H2,1H3/b9-3+,15-12+
InChIKeyCNCAZZVGGYVTAT-BMINPVPVSA-N
XLogP4.92
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.38
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (10E,12E)-10-fluoropentadeca-10,12-dien-1-ol?
The IUPAC name of (10E,12E)-10-fluoropentadeca-10,12-dien-1-ol (CID 11010139) is (10E,12E)-10-fluoropentadeca-10,12-dien-1-ol.
What is the SMILES notation for (10E,12E)-10-fluoropentadeca-10,12-dien-1-ol?
The canonical SMILES for (10E,12E)-10-fluoropentadeca-10,12-dien-1-ol is CC/C=C/C=C(/F)CCCCCCCCCO.
What is the InChIKey of (10E,12E)-10-fluoropentadeca-10,12-dien-1-ol?
The InChIKey is CNCAZZVGGYVTAT-BMINPVPVSA-N. The full InChI is InChI=1S/C15H27FO/c1-2-3-9-12-15(16)13-10-7-5-4-6-8-11-14-17/h3,9,12,17H,2,4-8,10-11,13-14H2,1H3/b9-3+,15-12+.
What are the key properties of (10E,12E)-10-fluoropentadeca-10,12-dien-1-ol?
(10E,12E)-10-fluoropentadeca-10,12-dien-1-ol has a molecular weight of 242.38 g/mol, XLogP of 4.92, 11 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (10E,12E)-10-fluoropentadeca-10,12-dien-1-ol is sourced from PubChem (CID 11010139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).