2,2-difluorododecan-1-ol

C12H24F2O — CID 86222269

IUPAC2,2-difluorododecan-1-ol
SMILESCCCCCCCCCCC(F)(F)CO
InChIInChI=1S/C12H24F2O/c1-2-3-4-5-6-7-8-9-10-12(13,14)11-15/h15H,2-11H2,1H3
InChIKeyWRKWZZBHRBQASU-UHFFFAOYSA-N
MW222.32 g/mol
LogP4.14
Rot. Bonds10

About 2,2-difluorododecan-1-ol

2,2-difluorododecan-1-ol (PubChem CID 86222269) has the molecular formula C12H24F2O and a molecular weight of 222.32 g/mol. Its IUPAC name is 2,2-difluorododecan-1-ol.

Molecular Properties

Compound Name2,2-difluorododecan-1-ol
PubChem CID86222269
Molecular FormulaC12H24F2O
Molecular Weight222.32 g/mol
Exact Mass222.18
IUPAC Name2,2-difluorododecan-1-ol
SMILESCCCCCCCCCCC(F)(F)CO
InChIInChI=1S/C12H24F2O/c1-2-3-4-5-6-7-8-9-10-12(13,14)11-15/h15H,2-11H2,1H3
InChIKeyWRKWZZBHRBQASU-UHFFFAOYSA-N
XLogP4.14
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.32
LogP ≤ 54.14
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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Related Compounds

2-fluoro-2-methylhexadecan-1-ol
CID 139634379
1,1,1,7,7-pentafluoroheptadecane
CID 54180623
2-fluoro-2-(trifluoromethyl)undecan-1-ol
CID 19891405
2-ethyl-2-fluorodecan-1-ol
CID 87200056
3,3-difluorooctane
CID 54258569
2,2-difluorodecan-1-amine
CID 12635530
2,2-dioctyldecan-1-ol
CID 87374856
2,2-di(undecyl)tridecan-1-ol
CID 176610401
9-fluoropentacosan-9-ol
CID 139794548
1,1,1-trifluorohexadecane
CID 15685316
2,2-dimethyldecan-1-ol
CID 520069
2-methyl-2-octyltridecan-1-ol
CID 138517447

Frequently Asked Questions

What is the IUPAC name of 2,2-difluorododecan-1-ol?
The IUPAC name of 2,2-difluorododecan-1-ol (CID 86222269) is 2,2-difluorododecan-1-ol.
What is the SMILES notation for 2,2-difluorododecan-1-ol?
The canonical SMILES for 2,2-difluorododecan-1-ol is CCCCCCCCCCC(F)(F)CO.
What is the InChIKey of 2,2-difluorododecan-1-ol?
The InChIKey is WRKWZZBHRBQASU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24F2O/c1-2-3-4-5-6-7-8-9-10-12(13,14)11-15/h15H,2-11H2,1H3.
What are the key properties of 2,2-difluorododecan-1-ol?
2,2-difluorododecan-1-ol has a molecular weight of 222.32 g/mol, XLogP of 4.14, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluorododecan-1-ol is sourced from PubChem (CID 86222269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).