10,10,10-trifluoro-5,5-dimethyl-9-(trifluoromethyl)decane-1,9-diol

C13H22F6O2 — CID 21261674

IUPAC10,10,10-trifluoro-5,5-dimethyl-9-(trifluoromethyl)decane-1,9-diol
SMILESCC(C)(CCCCO)CCCC(O)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C13H22F6O2/c1-10(2,6-3-4-9-20)7-5-8-11(21,12(14,15)16)13(17,18)19/h20-21H,3-9H2,1-2H3
InChIKeyXHCJEADJXBLDLH-UHFFFAOYSA-N
MW324.31 g/mol
LogP4.20
Rot. Bonds8

About 10,10,10-trifluoro-5,5-dimethyl-9-(trifluoromethyl)decane-1,9-diol

10,10,10-trifluoro-5,5-dimethyl-9-(trifluoromethyl)decane-1,9-diol (PubChem CID 21261674) has the molecular formula C13H22F6O2 and a molecular weight of 324.31 g/mol. Its IUPAC name is 10,10,10-trifluoro-5,5-dimethyl-9-(trifluoromethyl)decane-1,9-diol.

Molecular Properties

Compound Name10,10,10-trifluoro-5,5-dimethyl-9-(trifluoromethyl)decane-1,9-diol
PubChem CID21261674
Molecular FormulaC13H22F6O2
Molecular Weight324.31 g/mol
Exact Mass324.15
IUPAC Name10,10,10-trifluoro-5,5-dimethyl-9-(trifluoromethyl)decane-1,9-diol
SMILESCC(C)(CCCCO)CCCC(O)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C13H22F6O2/c1-10(2,6-3-4-9-20)7-5-8-11(21,12(14,15)16)13(17,18)19/h20-21H,3-9H2,1-2H3
InChIKeyXHCJEADJXBLDLH-UHFFFAOYSA-N
XLogP4.20
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.31
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

8,8,8-trifluoro-7-(trifluoromethyl)octane-1,7-diol
CID 53430948
1,1,1-trifluoro-6,6,8,8,9,9-hexamethyl-2-(trifluoromethyl)decan-2-ol;yttrium
CID 58205850
methane;1,1,1-trifluoro-6,6,8,8,9,9-hexamethyl-2-(trifluoromethyl)decan-2-ol
CID 160736312
7-fluoro-3,3,7-trimethyloctan-1-ol
CID 138725917
7,7-dimethyldocosan-1-ol
CID 150860437
decan-1-ol;8,8-dimethylundecan-1-ol
CID 162145912
5-chloro-4,4-dimethylpentan-1-ol
CID 139625740
7,8,8,8-tetrafluoro-7-(trifluoromethyl)octan-1-ol
CID 2776192
4-bromo-4-fluoro-5-methylhexane-1,5-diol
CID 87918411
8,10-dimethylundecane-1,8,10-triol
CID 90439764
trans-(1R,3R)-5-[12,12,12-trifluoro-11-hydroxy-7,7-dimethyl-11-(trifluoromethyl)dodec-2-enylidene]cyclohexane-1,3-diol
CID 173271316
(E)-5,5,9-trimethyldec-7-ene-1,9-diol
CID 21261663

Frequently Asked Questions

What is the IUPAC name of 10,10,10-trifluoro-5,5-dimethyl-9-(trifluoromethyl)decane-1,9-diol?
The IUPAC name of 10,10,10-trifluoro-5,5-dimethyl-9-(trifluoromethyl)decane-1,9-diol (CID 21261674) is 10,10,10-trifluoro-5,5-dimethyl-9-(trifluoromethyl)decane-1,9-diol.
What is the SMILES notation for 10,10,10-trifluoro-5,5-dimethyl-9-(trifluoromethyl)decane-1,9-diol?
The canonical SMILES for 10,10,10-trifluoro-5,5-dimethyl-9-(trifluoromethyl)decane-1,9-diol is CC(C)(CCCCO)CCCC(O)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 10,10,10-trifluoro-5,5-dimethyl-9-(trifluoromethyl)decane-1,9-diol?
The InChIKey is XHCJEADJXBLDLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22F6O2/c1-10(2,6-3-4-9-20)7-5-8-11(21,12(14,15)16)13(17,18)19/h20-21H,3-9H2,1-2H3.
What are the key properties of 10,10,10-trifluoro-5,5-dimethyl-9-(trifluoromethyl)decane-1,9-diol?
10,10,10-trifluoro-5,5-dimethyl-9-(trifluoromethyl)decane-1,9-diol has a molecular weight of 324.31 g/mol, XLogP of 4.20, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10,10,10-trifluoro-5,5-dimethyl-9-(trifluoromethyl)decane-1,9-diol is sourced from PubChem (CID 21261674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).