1-(4,4-difluorocyclohexyl)-5,5,5-trifluoropentan-1-one

C11H15F5O — CID 105123310

IUPAC1-(4,4-difluorocyclohexyl)-5,5,5-trifluoropentan-1-one
SMILESO=C(CCCC(F)(F)F)C1CCC(F)(F)CC1
InChIInChI=1S/C11H15F5O/c12-10(13)6-3-8(4-7-10)9(17)2-1-5-11(14,15)16/h8H,1-7H2
InChIKeyQINVWRJWCGKTCY-UHFFFAOYSA-N
MW258.23 g/mol
LogP4.11
Rot. Bonds4

About 1-(4,4-difluorocyclohexyl)-5,5,5-trifluoropentan-1-one

1-(4,4-difluorocyclohexyl)-5,5,5-trifluoropentan-1-one (PubChem CID 105123310) has the molecular formula C11H15F5O and a molecular weight of 258.23 g/mol. Its IUPAC name is 1-(4,4-difluorocyclohexyl)-5,5,5-trifluoropentan-1-one.

Molecular Properties

Compound Name1-(4,4-difluorocyclohexyl)-5,5,5-trifluoropentan-1-one
PubChem CID105123310
Molecular FormulaC11H15F5O
Molecular Weight258.23 g/mol
Exact Mass258.10
IUPAC Name1-(4,4-difluorocyclohexyl)-5,5,5-trifluoropentan-1-one
SMILESO=C(CCCC(F)(F)F)C1CCC(F)(F)CC1
InChIInChI=1S/C11H15F5O/c12-10(13)6-3-8(4-7-10)9(17)2-1-5-11(14,15)16/h8H,1-7H2
InChIKeyQINVWRJWCGKTCY-UHFFFAOYSA-N
XLogP4.11
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.23
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4,4-dimethylcyclohexyl)-5,5,5-trifluoropentan-1-one
CID 115515912
1-(4,4-difluorocyclohexyl)-4,4-dimethylpentan-1-one
CID 105093364
1-(4,4-difluorocyclohexyl)-4-methylsulfonylbutan-1-one
CID 105084255
1-(9-azabicyclo[3.3.1]nonan-3-yl)-5,5,5-trifluoropentan-1-one
CID 171950141
1-(4,4-difluorocyclohexyl)hex-4-yn-1-one
CID 105129038
1-(4,4-difluorocyclohexyl)-3-methylbutan-1-one
CID 105077543
1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-5-(4,4-difluorocyclohexyl)pentane-1,5-dione
CID 158922068
1-(4,4-difluorocyclohexyl)-3-[(1R)-2,2,3,3-tetramethylcyclopentyl]propan-1-one
CID 58477014
1-cyclopropyl-4-fluorobutan-1-one
CID 80696866
1,8-di(cyclobutyl)octane-1,8-dione
CID 70972585
12,12,12-trifluorododecanoyl chloride
CID 19105159
1-(4,4-difluorocyclohexyl)-3-methylpentan-1-one
CID 105091676

Frequently Asked Questions

What is the IUPAC name of 1-(4,4-difluorocyclohexyl)-5,5,5-trifluoropentan-1-one?
The IUPAC name of 1-(4,4-difluorocyclohexyl)-5,5,5-trifluoropentan-1-one (CID 105123310) is 1-(4,4-difluorocyclohexyl)-5,5,5-trifluoropentan-1-one.
What is the SMILES notation for 1-(4,4-difluorocyclohexyl)-5,5,5-trifluoropentan-1-one?
The canonical SMILES for 1-(4,4-difluorocyclohexyl)-5,5,5-trifluoropentan-1-one is O=C(CCCC(F)(F)F)C1CCC(F)(F)CC1.
What is the InChIKey of 1-(4,4-difluorocyclohexyl)-5,5,5-trifluoropentan-1-one?
The InChIKey is QINVWRJWCGKTCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F5O/c12-10(13)6-3-8(4-7-10)9(17)2-1-5-11(14,15)16/h8H,1-7H2.
What are the key properties of 1-(4,4-difluorocyclohexyl)-5,5,5-trifluoropentan-1-one?
1-(4,4-difluorocyclohexyl)-5,5,5-trifluoropentan-1-one has a molecular weight of 258.23 g/mol, XLogP of 4.11, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,4-difluorocyclohexyl)-5,5,5-trifluoropentan-1-one is sourced from PubChem (CID 105123310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).