1,1,1,6,6,6-hexafluoro-2-methylhexan-2-ol

C7H10F6O — CID 116535920

IUPAC1,1,1,6,6,6-hexafluoro-2-methylhexan-2-ol
SMILESCC(O)(CCCC(F)(F)F)C(F)(F)F
InChIInChI=1S/C7H10F6O/c1-5(14,7(11,12)13)3-2-4-6(8,9)10/h14H,2-4H2,1H3
InChIKeyFLWOAZGVOPZPIZ-UHFFFAOYSA-N
MW224.14 g/mol
LogP3.03
Rot. Bonds3

About 1,1,1,6,6,6-hexafluoro-2-methylhexan-2-ol

1,1,1,6,6,6-hexafluoro-2-methylhexan-2-ol (PubChem CID 116535920) has the molecular formula C7H10F6O and a molecular weight of 224.14 g/mol. Its IUPAC name is 1,1,1,6,6,6-hexafluoro-2-methylhexan-2-ol.

Molecular Properties

Compound Name1,1,1,6,6,6-hexafluoro-2-methylhexan-2-ol
PubChem CID116535920
Molecular FormulaC7H10F6O
Molecular Weight224.14 g/mol
Exact Mass224.06
IUPAC Name1,1,1,6,6,6-hexafluoro-2-methylhexan-2-ol
SMILESCC(O)(CCCC(F)(F)F)C(F)(F)F
InChIInChI=1S/C7H10F6O/c1-5(14,7(11,12)13)3-2-4-6(8,9)10/h14H,2-4H2,1H3
InChIKeyFLWOAZGVOPZPIZ-UHFFFAOYSA-N
XLogP3.03
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.14
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2S)-1,1,1-trifluoro-2-methylheptan-2-ol
CID 147580819
7,7,7-trifluoro-3-hydroxy-2,2,3-trimethylheptanenitrile
CID 116536353
2,2,7,7,7-pentafluoro-3-hydroxy-3-methylheptanoic acid
CID 116536109
1,1,6,6,6-pentafluorohexan-1-ol
CID 143019426
2-ethyl-7,7,7-trifluoro-3-hydroxy-2,3-dimethylheptanenitrile
CID 116536357
4-amino-1,1,1-trifluoro-2-methylbutan-2-ol
CID 79006473
3-ethyl-7,7,7-trifluoroheptan-3-ol
CID 86640092
7,7,7-trifluoro-3-hydroxy-3-methylheptanal
CID 115515626
4,4,4-trifluoro-N-(2-hydroxy-2-methylpropyl)butane-1-sulfonamide
CID 83059566
8,8,8-trifluoro-4-hydroxy-4-methyloctanoic acid
CID 116536112
7-ethyl-1,1,1-trifluoro-5-methylnonan-5-ol
CID 116535930
4-(ethylamino)-1,1,1-trifluoro-2-methylbutan-2-ol
CID 80559493

Frequently Asked Questions

What is the IUPAC name of 1,1,1,6,6,6-hexafluoro-2-methylhexan-2-ol?
The IUPAC name of 1,1,1,6,6,6-hexafluoro-2-methylhexan-2-ol (CID 116535920) is 1,1,1,6,6,6-hexafluoro-2-methylhexan-2-ol.
What is the SMILES notation for 1,1,1,6,6,6-hexafluoro-2-methylhexan-2-ol?
The canonical SMILES for 1,1,1,6,6,6-hexafluoro-2-methylhexan-2-ol is CC(O)(CCCC(F)(F)F)C(F)(F)F.
What is the InChIKey of 1,1,1,6,6,6-hexafluoro-2-methylhexan-2-ol?
The InChIKey is FLWOAZGVOPZPIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F6O/c1-5(14,7(11,12)13)3-2-4-6(8,9)10/h14H,2-4H2,1H3.
What are the key properties of 1,1,1,6,6,6-hexafluoro-2-methylhexan-2-ol?
1,1,1,6,6,6-hexafluoro-2-methylhexan-2-ol has a molecular weight of 224.14 g/mol, XLogP of 3.03, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,6,6,6-hexafluoro-2-methylhexan-2-ol is sourced from PubChem (CID 116535920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).