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

C6H8F6O — CID 19788866

IUPAC1,1,1,3,3-pentafluoro-2-(fluoromethyl)pentan-2-ol
SMILESCCC(F)(F)C(O)(CF)C(F)(F)F
InChIInChI=1S/C6H8F6O/c1-2-5(8,9)4(13,3-7)6(10,11)12/h13H,2-3H2,1H3
InChIKeyVUKGZGMWQKJQIC-UHFFFAOYSA-N
MW210.12 g/mol
LogP2.29
Rot. Bonds3

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

1,1,1,3,3-pentafluoro-2-(fluoromethyl)pentan-2-ol (PubChem CID 19788866) has the molecular formula C6H8F6O and a molecular weight of 210.12 g/mol. Its IUPAC name is 1,1,1,3,3-pentafluoro-2-(fluoromethyl)pentan-2-ol.

Molecular Properties

Compound Name1,1,1,3,3-pentafluoro-2-(fluoromethyl)pentan-2-ol
PubChem CID19788866
Molecular FormulaC6H8F6O
Molecular Weight210.12 g/mol
Exact Mass210.05
IUPAC Name1,1,1,3,3-pentafluoro-2-(fluoromethyl)pentan-2-ol
SMILESCCC(F)(F)C(O)(CF)C(F)(F)F
InChIInChI=1S/C6H8F6O/c1-2-5(8,9)4(13,3-7)6(10,11)12/h13H,2-3H2,1H3
InChIKeyVUKGZGMWQKJQIC-UHFFFAOYSA-N
XLogP2.29
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.12
LogP ≤ 52.29
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
3,3-Difluoro-2-methylbutan-2-ol
CID 86683229
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

Frequently Asked Questions

What is the IUPAC name of 1,1,1,3,3-pentafluoro-2-(fluoromethyl)pentan-2-ol?
The IUPAC name of 1,1,1,3,3-pentafluoro-2-(fluoromethyl)pentan-2-ol (CID 19788866) is 1,1,1,3,3-pentafluoro-2-(fluoromethyl)pentan-2-ol.
What is the SMILES notation for 1,1,1,3,3-pentafluoro-2-(fluoromethyl)pentan-2-ol?
The canonical SMILES for 1,1,1,3,3-pentafluoro-2-(fluoromethyl)pentan-2-ol is CCC(F)(F)C(O)(CF)C(F)(F)F.
What is the InChIKey of 1,1,1,3,3-pentafluoro-2-(fluoromethyl)pentan-2-ol?
The InChIKey is VUKGZGMWQKJQIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F6O/c1-2-5(8,9)4(13,3-7)6(10,11)12/h13H,2-3H2,1H3.
What are the key properties of 1,1,1,3,3-pentafluoro-2-(fluoromethyl)pentan-2-ol?
1,1,1,3,3-pentafluoro-2-(fluoromethyl)pentan-2-ol has a molecular weight of 210.12 g/mol, XLogP of 2.29, 3 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-(fluoromethyl)pentan-2-ol is sourced from PubChem (CID 19788866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).