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

C9H10F6O2 — CID 13026293

IUPAC2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)cyclohexan-1-one
SMILESO=C1CCCCC1C(O)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C9H10F6O2/c10-8(11,12)7(17,9(13,14)15)5-3-1-2-4-6(5)16/h5,17H,1-4H2
InChIKeyDVZIAUDAPRYTSQ-UHFFFAOYSA-N
MW264.16 g/mol
LogP2.60
Rot. Bonds1

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

2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)cyclohexan-1-one (PubChem CID 13026293) has the molecular formula C9H10F6O2 and a molecular weight of 264.16 g/mol. Its IUPAC name is 2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)cyclohexan-1-one.

Molecular Properties

Compound Name2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)cyclohexan-1-one
PubChem CID13026293
Molecular FormulaC9H10F6O2
Molecular Weight264.16 g/mol
Exact Mass264.06
IUPAC Name2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)cyclohexan-1-one
SMILESO=C1CCCCC1C(O)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C9H10F6O2/c10-8(11,12)7(17,9(13,14)15)5-3-1-2-4-6(5)16/h5,17H,1-4H2
InChIKeyDVZIAUDAPRYTSQ-UHFFFAOYSA-N
XLogP2.60
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.16
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,5-Bis(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)cyclopentan-1-one
CID 379524
2,5-Octanedione, 7-hydroxy-8,8,8-trifluoro-7-trifluoromethyl-
CID 59062
2-(2,2,2-Trifluoro-1-hydroxy-1-(trifluoromethyl)ethyl)cyclopentanone
CID 379518
2-(1,1,1,3,3,3-Hexafluoro-2-hydroxypropan-2-yl)heptanal
CID 36945
2-(1,3-Dichloro-1,1,3,3-tetrafluoro-2-hydroxypropan-2-yl)cyclohexan-1-one
CID 3063749
1,1,1,10,10,10-Hexafluoro-2,9-dihydroxy-2,9-bis(trifluoromethyl)-4,7-decanedione
CID 379574
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
2-(2-Chloro-2,2-difluoro-1-hydroxy-1-(trifluoromethyl)ethyl)cyclohexanone
CID 377628
1-Cyclohexyl-4,4,4-trifluoro-3-hydroxybutan-1-one
CID 10966144
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

Frequently Asked Questions

What is the IUPAC name of 2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)cyclohexan-1-one?
The IUPAC name of 2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)cyclohexan-1-one (CID 13026293) is 2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)cyclohexan-1-one.
What is the SMILES notation for 2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)cyclohexan-1-one?
The canonical SMILES for 2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)cyclohexan-1-one is O=C1CCCCC1C(O)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)cyclohexan-1-one?
The InChIKey is DVZIAUDAPRYTSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F6O2/c10-8(11,12)7(17,9(13,14)15)5-3-1-2-4-6(5)16/h5,17H,1-4H2.
What are the key properties of 2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)cyclohexan-1-one?
2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)cyclohexan-1-one has a molecular weight of 264.16 g/mol, XLogP of 2.60, 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)cyclohexan-1-one is sourced from PubChem (CID 13026293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).