1,1,1,3,3-pentafluoro-2-(trifluoromethyl)pentan-2-ol

C6H6F8O — CID 19788848

IUPAC1,1,1,3,3-pentafluoro-2-(trifluoromethyl)pentan-2-ol
SMILESCCC(F)(F)C(O)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C6H6F8O/c1-2-3(7,8)4(15,5(9,10)11)6(12,13)14/h15H,2H2,1H3
InChIKeyWMVGZZADYWNKRA-UHFFFAOYSA-N
MW246.10 g/mol
LogP2.89
Rot. Bonds2

About 1,1,1,3,3-pentafluoro-2-(trifluoromethyl)pentan-2-ol

1,1,1,3,3-pentafluoro-2-(trifluoromethyl)pentan-2-ol (PubChem CID 19788848) has the molecular formula C6H6F8O and a molecular weight of 246.10 g/mol. Its IUPAC name is 1,1,1,3,3-pentafluoro-2-(trifluoromethyl)pentan-2-ol.

Molecular Properties

Compound Name1,1,1,3,3-pentafluoro-2-(trifluoromethyl)pentan-2-ol
PubChem CID19788848
Molecular FormulaC6H6F8O
Molecular Weight246.10 g/mol
Exact Mass246.03
IUPAC Name1,1,1,3,3-pentafluoro-2-(trifluoromethyl)pentan-2-ol
SMILESCCC(F)(F)C(O)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C6H6F8O/c1-2-3(7,8)4(15,5(9,10)11)6(12,13)14/h15H,2H2,1H3
InChIKeyWMVGZZADYWNKRA-UHFFFAOYSA-N
XLogP2.89
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.10
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-Methyl-3,3,4,4-tetrafluoro-2-butanol
CID 34628
3,3,4,4,5,5,5-Heptafluoro-2-methylpentan-2-ol
CID 540479
2,4-Pentanediol, 4-methyl-1,1,1-trifluoro-2-(trifluoromethyl)-
CID 294166
4,4,5,5,6,6,6-Heptafluoro-3-methylhexan-3-ol
CID 131853889
3,3,4,5,5,5-Hexafluoro-2-methylpentan-2-ol
CID 13442056
4-Fluoro-2-methylpentan-2-ol
CID 19083207
2,4-Bis(trifluoromethyl)-2,4-pentanediol
CID 10586103
Ethylbistrifluoromethylmethanol
CID 18544797
3,3,4,4,4-Pentafluoro-2-methylbutan-2-ol
CID 19022260
1,1,1-Trifluoro-2-methylhexan-2-ol
CID 272695
2-(4H-Perfluorobutyl)-2-propanol
CID 257708
3-Fluoro-2-methylpentan-2-ol
CID 22000515

Frequently Asked Questions

What is the IUPAC name of 1,1,1,3,3-pentafluoro-2-(trifluoromethyl)pentan-2-ol?
The IUPAC name of 1,1,1,3,3-pentafluoro-2-(trifluoromethyl)pentan-2-ol (CID 19788848) is 1,1,1,3,3-pentafluoro-2-(trifluoromethyl)pentan-2-ol.
What is the SMILES notation for 1,1,1,3,3-pentafluoro-2-(trifluoromethyl)pentan-2-ol?
The canonical SMILES for 1,1,1,3,3-pentafluoro-2-(trifluoromethyl)pentan-2-ol is CCC(F)(F)C(O)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1,1,1,3,3-pentafluoro-2-(trifluoromethyl)pentan-2-ol?
The InChIKey is WMVGZZADYWNKRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6F8O/c1-2-3(7,8)4(15,5(9,10)11)6(12,13)14/h15H,2H2,1H3.
What are the key properties of 1,1,1,3,3-pentafluoro-2-(trifluoromethyl)pentan-2-ol?
1,1,1,3,3-pentafluoro-2-(trifluoromethyl)pentan-2-ol has a molecular weight of 246.10 g/mol, XLogP of 2.89, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,3,3-pentafluoro-2-(trifluoromethyl)pentan-2-ol is sourced from PubChem (CID 19788848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).