5,6-bis(2,2,2-trifluoroethyl)decane-1,10-diol

C14H24F6O2 — CID 166442862

IUPAC5,6-bis(2,2,2-trifluoroethyl)decane-1,10-diol
SMILESOCCCCC(CC(F)(F)F)C(CCCCO)CC(F)(F)F
InChIInChI=1S/C14H24F6O2/c15-13(16,17)9-11(5-1-3-7-21)12(6-2-4-8-22)10-14(18,19)20/h11-12,21-22H,1-10H2
InChIKeyOOCHYWNVSVVMDQ-UHFFFAOYSA-N
MW338.33 g/mol
LogP4.45
Rot. Bonds11

About 5,6-bis(2,2,2-trifluoroethyl)decane-1,10-diol

5,6-bis(2,2,2-trifluoroethyl)decane-1,10-diol (PubChem CID 166442862) has the molecular formula C14H24F6O2 and a molecular weight of 338.33 g/mol. Its IUPAC name is 5,6-bis(2,2,2-trifluoroethyl)decane-1,10-diol.

Molecular Properties

Compound Name5,6-bis(2,2,2-trifluoroethyl)decane-1,10-diol
PubChem CID166442862
Molecular FormulaC14H24F6O2
Molecular Weight338.33 g/mol
Exact Mass338.17
IUPAC Name5,6-bis(2,2,2-trifluoroethyl)decane-1,10-diol
SMILESOCCCCC(CC(F)(F)F)C(CCCCO)CC(F)(F)F
InChIInChI=1S/C14H24F6O2/c15-13(16,17)9-11(5-1-3-7-21)12(6-2-4-8-22)10-14(18,19)20/h11-12,21-22H,1-10H2
InChIKeyOOCHYWNVSVVMDQ-UHFFFAOYSA-N
XLogP4.45
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.33
LogP ≤ 54.45
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

7,8,8,8-Tetrafluoro-7-(trifluoromethyl)octan-1-ol
CID 2776192
7,7,8,8,9,9,10,10,11,11,12,12,13,14,14,14-Hexadecafluoro-13-(trifluoromethyl)tetradecan-1-ol
CID 2776233
4,4,4-Trifluoro-2-pentyl-3-(trifluoromethyl)butane-1,3-diol
CID 215056
2-(Heptadecafluorooctyl)butane-1,4-diol
CID 2752562
2-(3,3,4,4,5,5,6,6,6-Nonafluorohexyl)propane-1,3-diol
CID 101873326
(2S)-2-(Nonafluorobutyl)octan-1-ol
CID 121008108
2-(1,1,1,3,3,3-Hexafluoro-2-hydroxypropan-2-yl)cyclododecan-1-ol
CID 36947
Alcohols, C8-14, gamma-omega-perfluoro
CID 110094
cis-Cyclododecanemethanol, 2-hydroxy-alpha,alpha-bis(trifluoromethyl)-
CID 294316
4-(2,2,3,3,4,4,5,5,6,6,7,7,7-Tridecafluoro-heptyl)-heptane-1,7-diol
CID 10073113
2-(4,4-Difluorocyclohexyl)propan-1-ol
CID 165991618
7,7,7-Trifluoro-5-(trifluoromethyl)heptan-1-ol
CID 122220978

Frequently Asked Questions

What is the IUPAC name of 5,6-bis(2,2,2-trifluoroethyl)decane-1,10-diol?
The IUPAC name of 5,6-bis(2,2,2-trifluoroethyl)decane-1,10-diol (CID 166442862) is 5,6-bis(2,2,2-trifluoroethyl)decane-1,10-diol.
What is the SMILES notation for 5,6-bis(2,2,2-trifluoroethyl)decane-1,10-diol?
The canonical SMILES for 5,6-bis(2,2,2-trifluoroethyl)decane-1,10-diol is OCCCCC(CC(F)(F)F)C(CCCCO)CC(F)(F)F.
What is the InChIKey of 5,6-bis(2,2,2-trifluoroethyl)decane-1,10-diol?
The InChIKey is OOCHYWNVSVVMDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24F6O2/c15-13(16,17)9-11(5-1-3-7-21)12(6-2-4-8-22)10-14(18,19)20/h11-12,21-22H,1-10H2.
What are the key properties of 5,6-bis(2,2,2-trifluoroethyl)decane-1,10-diol?
5,6-bis(2,2,2-trifluoroethyl)decane-1,10-diol has a molecular weight of 338.33 g/mol, XLogP of 4.45, 11 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-bis(2,2,2-trifluoroethyl)decane-1,10-diol is sourced from PubChem (CID 166442862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).