2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2-methylcyclohexan-1-one

C10H12F6O2 — CID 86618069

IUPAC2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2-methylcyclohexan-1-one
SMILESCC1(C(O)(C(F)(F)F)C(F)(F)F)CCCCC1=O
InChIInChI=1S/C10H12F6O2/c1-7(5-3-2-4-6(7)17)8(18,9(11,12)13)10(14,15)16/h18H,2-5H2,1H3
InChIKeyAYUAGXQVOXXYTG-UHFFFAOYSA-N
MW278.19 g/mol
LogP2.99
Rot. Bonds1

About 2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2-methylcyclohexan-1-one

2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2-methylcyclohexan-1-one (PubChem CID 86618069) has the molecular formula C10H12F6O2 and a molecular weight of 278.19 g/mol. Its IUPAC name is 2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2-methylcyclohexan-1-one.

Molecular Properties

Compound Name2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2-methylcyclohexan-1-one
PubChem CID86618069
Molecular FormulaC10H12F6O2
Molecular Weight278.19 g/mol
Exact Mass278.07
IUPAC Name2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2-methylcyclohexan-1-one
SMILESCC1(C(O)(C(F)(F)F)C(F)(F)F)CCCCC1=O
InChIInChI=1S/C10H12F6O2/c1-7(5-3-2-4-6(7)17)8(18,9(11,12)13)10(14,15)16/h18H,2-5H2,1H3
InChIKeyAYUAGXQVOXXYTG-UHFFFAOYSA-N
XLogP2.99
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.19
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,5-Octanedione, 7-hydroxy-8,8,8-trifluoro-7-trifluoromethyl-
CID 59062
2-(1,1,1,3,3,3-Hexafluoro-2-hydroxypropan-2-yl)cyclohexan-1-one
CID 13026293
2-(1,1,1,3,3,3-Hexafluoro-2-hydroxypropan-2-yl)-3-methyl-6-propan-2-ylcyclohexan-1-one
CID 293403
2-(1,1,1,3,3,3-Hexafluoro-2-hydroxypropan-2-yl)cyclododecan-1-one
CID 294289
7-(Difluoromethyl)-6,6-difluoro-7-hydroxyundecan-5-one
CID 11032982
1-Cyclohexyl-4,4,4-trifluoro-3-hydroxy-3-methylbutan-1-one
CID 11118106
1,1-Difluoro-1-(1-hydroxycyclohexyl)octan-2-one
CID 13053159
3-Ethyl-4,4-difluoro-3-hydroxyundecan-5-one
CID 13172565
9-(Difluoromethyl)-8,8-difluoro-9-hydroxypentadecan-7-one
CID 100989027
4-Hydroxy-4-(2-oxo-1,1,3,3,3-pentafluoropropyl)cyclohexanone
CID 23108395
1,1,1-Trifluoro-2-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)cyclohexyl]-4,4-dimethyl-2-(trifluoromethyl)hexan-3-one
CID 57549666
1-Cyclohexyl-4,4,4-trifluoro-3-hydroxy-3-(trifluoromethyl)butan-1-one
CID 58810825

Frequently Asked Questions

What is the IUPAC name of 2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2-methylcyclohexan-1-one?
The IUPAC name of 2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2-methylcyclohexan-1-one (CID 86618069) is 2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2-methylcyclohexan-1-one.
What is the SMILES notation for 2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2-methylcyclohexan-1-one?
The canonical SMILES for 2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2-methylcyclohexan-1-one is CC1(C(O)(C(F)(F)F)C(F)(F)F)CCCCC1=O.
What is the InChIKey of 2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2-methylcyclohexan-1-one?
The InChIKey is AYUAGXQVOXXYTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F6O2/c1-7(5-3-2-4-6(7)17)8(18,9(11,12)13)10(14,15)16/h18H,2-5H2,1H3.
What are the key properties of 2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2-methylcyclohexan-1-one?
2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2-methylcyclohexan-1-one has a molecular weight of 278.19 g/mol, XLogP of 2.99, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2-methylcyclohexan-1-one is sourced from PubChem (CID 86618069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).