2-fluoro-3,7,11-trimethyldodeca-2,6,10-trien-1-ol

C15H25FO — CID 86058631

IUPAC2-fluoro-3,7,11-trimethyldodeca-2,6,10-trien-1-ol
SMILESCC(C)=CCCC(C)=CCCC(C)=C(F)CO
InChIInChI=1S/C15H25FO/c1-12(2)7-5-8-13(3)9-6-10-14(4)15(16)11-17/h7,9,17H,5-6,8,10-11H2,1-4H3
InChIKeyHRBGAHVKLCJDPZ-UHFFFAOYSA-N
MW240.36 g/mol
LogP4.70
Rot. Bonds7

About 2-fluoro-3,7,11-trimethyldodeca-2,6,10-trien-1-ol

2-fluoro-3,7,11-trimethyldodeca-2,6,10-trien-1-ol (PubChem CID 86058631) has the molecular formula C15H25FO and a molecular weight of 240.36 g/mol. Its IUPAC name is 2-fluoro-3,7,11-trimethyldodeca-2,6,10-trien-1-ol.

Molecular Properties

Compound Name2-fluoro-3,7,11-trimethyldodeca-2,6,10-trien-1-ol
PubChem CID86058631
Molecular FormulaC15H25FO
Molecular Weight240.36 g/mol
Exact Mass240.19
IUPAC Name2-fluoro-3,7,11-trimethyldodeca-2,6,10-trien-1-ol
SMILESCC(C)=CCCC(C)=CCCC(C)=C(F)CO
InChIInChI=1S/C15H25FO/c1-12(2)7-5-8-13(3)9-6-10-14(4)15(16)11-17/h7,9,17H,5-6,8,10-11H2,1-4H3
InChIKeyHRBGAHVKLCJDPZ-UHFFFAOYSA-N
XLogP4.70
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.36
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 2-fluoro-3,7,11-trimethyldodeca-2,6,10-trien-1-ol?
The IUPAC name of 2-fluoro-3,7,11-trimethyldodeca-2,6,10-trien-1-ol (CID 86058631) is 2-fluoro-3,7,11-trimethyldodeca-2,6,10-trien-1-ol.
What is the SMILES notation for 2-fluoro-3,7,11-trimethyldodeca-2,6,10-trien-1-ol?
The canonical SMILES for 2-fluoro-3,7,11-trimethyldodeca-2,6,10-trien-1-ol is CC(C)=CCCC(C)=CCCC(C)=C(F)CO.
What is the InChIKey of 2-fluoro-3,7,11-trimethyldodeca-2,6,10-trien-1-ol?
The InChIKey is HRBGAHVKLCJDPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25FO/c1-12(2)7-5-8-13(3)9-6-10-14(4)15(16)11-17/h7,9,17H,5-6,8,10-11H2,1-4H3.
What are the key properties of 2-fluoro-3,7,11-trimethyldodeca-2,6,10-trien-1-ol?
2-fluoro-3,7,11-trimethyldodeca-2,6,10-trien-1-ol has a molecular weight of 240.36 g/mol, XLogP of 4.70, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-3,7,11-trimethyldodeca-2,6,10-trien-1-ol is sourced from PubChem (CID 86058631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).