5,5,5-trifluoro-2-(trifluoromethyl)pentane-1,2-diol

C6H8F6O2 — CID 159965260

IUPAC5,5,5-trifluoro-2-(trifluoromethyl)pentane-1,2-diol
SMILESOCC(O)(CCC(F)(F)F)C(F)(F)F
InChIInChI=1S/C6H8F6O2/c7-5(8,9)2-1-4(14,3-13)6(10,11)12/h13-14H,1-3H2
InChIKeyZZDIUKUNJLAPNV-UHFFFAOYSA-N
MW226.12 g/mol
LogP1.61
Rot. Bonds3

About 5,5,5-trifluoro-2-(trifluoromethyl)pentane-1,2-diol

5,5,5-trifluoro-2-(trifluoromethyl)pentane-1,2-diol (PubChem CID 159965260) has the molecular formula C6H8F6O2 and a molecular weight of 226.12 g/mol. Its IUPAC name is 5,5,5-trifluoro-2-(trifluoromethyl)pentane-1,2-diol.

Molecular Properties

Compound Name5,5,5-trifluoro-2-(trifluoromethyl)pentane-1,2-diol
PubChem CID159965260
Molecular FormulaC6H8F6O2
Molecular Weight226.12 g/mol
Exact Mass226.04
IUPAC Name5,5,5-trifluoro-2-(trifluoromethyl)pentane-1,2-diol
SMILESOCC(O)(CCC(F)(F)F)C(F)(F)F
InChIInChI=1S/C6H8F6O2/c7-5(8,9)2-1-4(14,3-13)6(10,11)12/h13-14H,1-3H2
InChIKeyZZDIUKUNJLAPNV-UHFFFAOYSA-N
XLogP1.61
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.12
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-iodo-4-methyl-2-(trifluoromethyl)pentane-1,2-diol
CID 143906741
6,6,6-trifluoro-3-methylhexan-3-ol
CID 64565342
1-chloro-4,4,4-trifluorobutane-1,1-diol
CID 156773076
1,1,6,6,6-pentafluorohexan-1-ol
CID 143019426
1,1,1-trifluoro-4-methylheptan-4-ol
CID 80558654
1,1,1,6,6,6-hexafluoro-2-methylhexan-2-ol
CID 116535920
1,1,1,2,2,5,5,5-octafluoropentane
CID 22457046
1,1,1-trifluoro-6-methyl-4-(2-methylpropyl)heptan-4-ol
CID 114865192
2-aminosulfanyl-3,3,3-trifluoropropane-1,2-diol
CID 150352045
2-(hydroxymethyl)butane-1,1,1,2,4-pentol
CID 139890628
8,8,8-trifluoro-7-(trifluoromethyl)octane-1,7-diol
CID 53430948
3-ethyl-7,7,7-trifluoroheptan-3-ol
CID 86640092

Frequently Asked Questions

What is the IUPAC name of 5,5,5-trifluoro-2-(trifluoromethyl)pentane-1,2-diol?
The IUPAC name of 5,5,5-trifluoro-2-(trifluoromethyl)pentane-1,2-diol (CID 159965260) is 5,5,5-trifluoro-2-(trifluoromethyl)pentane-1,2-diol.
What is the SMILES notation for 5,5,5-trifluoro-2-(trifluoromethyl)pentane-1,2-diol?
The canonical SMILES for 5,5,5-trifluoro-2-(trifluoromethyl)pentane-1,2-diol is OCC(O)(CCC(F)(F)F)C(F)(F)F.
What is the InChIKey of 5,5,5-trifluoro-2-(trifluoromethyl)pentane-1,2-diol?
The InChIKey is ZZDIUKUNJLAPNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F6O2/c7-5(8,9)2-1-4(14,3-13)6(10,11)12/h13-14H,1-3H2.
What are the key properties of 5,5,5-trifluoro-2-(trifluoromethyl)pentane-1,2-diol?
5,5,5-trifluoro-2-(trifluoromethyl)pentane-1,2-diol has a molecular weight of 226.12 g/mol, XLogP of 1.61, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5,5-trifluoro-2-(trifluoromethyl)pentane-1,2-diol is sourced from PubChem (CID 159965260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).