12,12-difluoro-2-methyldodec-11-en-2-ol

C13H24F2O — CID 19915356

IUPAC12,12-difluoro-2-methyldodec-11-en-2-ol
SMILESCC(C)(O)CCCCCCCCC=C(F)F
InChIInChI=1S/C13H24F2O/c1-13(2,16)11-9-7-5-3-4-6-8-10-12(14)15/h10,16H,3-9,11H2,1-2H3
InChIKeyOHBJWSGMDSOUMG-UHFFFAOYSA-N
MW234.33 g/mol
LogP4.66
Rot. Bonds9

About 12,12-difluoro-2-methyldodec-11-en-2-ol

12,12-difluoro-2-methyldodec-11-en-2-ol (PubChem CID 19915356) has the molecular formula C13H24F2O and a molecular weight of 234.33 g/mol. Its IUPAC name is 12,12-difluoro-2-methyldodec-11-en-2-ol.

Molecular Properties

Compound Name12,12-difluoro-2-methyldodec-11-en-2-ol
PubChem CID19915356
Molecular FormulaC13H24F2O
Molecular Weight234.33 g/mol
Exact Mass234.18
IUPAC Name12,12-difluoro-2-methyldodec-11-en-2-ol
SMILESCC(C)(O)CCCCCCCCC=C(F)F
InChIInChI=1S/C13H24F2O/c1-13(2,16)11-9-7-5-3-4-6-8-10-12(14)15/h10,16H,3-9,11H2,1-2H3
InChIKeyOHBJWSGMDSOUMG-UHFFFAOYSA-N
XLogP4.66
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.33
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 12,12-difluoro-2-methyldodec-11-en-2-ol?
The IUPAC name of 12,12-difluoro-2-methyldodec-11-en-2-ol (CID 19915356) is 12,12-difluoro-2-methyldodec-11-en-2-ol.
What is the SMILES notation for 12,12-difluoro-2-methyldodec-11-en-2-ol?
The canonical SMILES for 12,12-difluoro-2-methyldodec-11-en-2-ol is CC(C)(O)CCCCCCCCC=C(F)F.
What is the InChIKey of 12,12-difluoro-2-methyldodec-11-en-2-ol?
The InChIKey is OHBJWSGMDSOUMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24F2O/c1-13(2,16)11-9-7-5-3-4-6-8-10-12(14)15/h10,16H,3-9,11H2,1-2H3.
What are the key properties of 12,12-difluoro-2-methyldodec-11-en-2-ol?
12,12-difluoro-2-methyldodec-11-en-2-ol has a molecular weight of 234.33 g/mol, XLogP of 4.66, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 12,12-difluoro-2-methyldodec-11-en-2-ol is sourced from PubChem (CID 19915356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).