4-cyclohexyl-4-fluorobutan-2-one

C10H17FO — CID 105435232

IUPAC4-cyclohexyl-4-fluorobutan-2-one
SMILESCC(=O)CC(F)C1CCCCC1
InChIInChI=1S/C10H17FO/c1-8(12)7-10(11)9-5-3-2-4-6-9/h9-10H,2-7H2,1H3
InChIKeyUTOGVLVLARWKTJ-UHFFFAOYSA-N
MW172.24 g/mol
LogP2.88
Rot. Bonds3

About 4-cyclohexyl-4-fluorobutan-2-one

4-cyclohexyl-4-fluorobutan-2-one (PubChem CID 105435232) has the molecular formula C10H17FO and a molecular weight of 172.24 g/mol. Its IUPAC name is 4-cyclohexyl-4-fluorobutan-2-one.

Molecular Properties

Compound Name4-cyclohexyl-4-fluorobutan-2-one
PubChem CID105435232
Molecular FormulaC10H17FO
Molecular Weight172.24 g/mol
Exact Mass172.13
IUPAC Name4-cyclohexyl-4-fluorobutan-2-one
SMILESCC(=O)CC(F)C1CCCCC1
InChIInChI=1S/C10H17FO/c1-8(12)7-10(11)9-5-3-2-4-6-9/h9-10H,2-7H2,1H3
InChIKeyUTOGVLVLARWKTJ-UHFFFAOYSA-N
XLogP2.88
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.24
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-cyclohexyl-3-fluoropropanoic acid
CID 105435814
(4R)-4-[(1S)-1-cyclohexylethoxy]pentan-2-one
CID 11095930
1-fluoropropylcyclohexane
CID 175482470
3-cyclohexyl-3-fluoro-1-(4-methoxyphenyl)propan-1-one
CID 22934178
(2R)-2-cyclobutyl-2-fluoroethanol
CID 129462304
5-cyclohexyl-4-methoxypentan-2-one;methane
CID 158323784
3-fluoro-3-(1-methylpiperidin-4-yl)propanoic acid
CID 83856314
(4R)-4-[bromomethyl(dimethyl)silyl]oxy-4-cyclohexylbutan-2-one
CID 100954480
4-[cycloheptyl(methyl)amino]pentan-2-one
CID 64696664
difluoromethylcyclohexane;propane
CID 144840509
3-cyclohexylbutanoate
CID 3992120
(1S)-1-amino-1-cyclohexylpropan-2-one
CID 59946338

Frequently Asked Questions

What is the IUPAC name of 4-cyclohexyl-4-fluorobutan-2-one?
The IUPAC name of 4-cyclohexyl-4-fluorobutan-2-one (CID 105435232) is 4-cyclohexyl-4-fluorobutan-2-one.
What is the SMILES notation for 4-cyclohexyl-4-fluorobutan-2-one?
The canonical SMILES for 4-cyclohexyl-4-fluorobutan-2-one is CC(=O)CC(F)C1CCCCC1.
What is the InChIKey of 4-cyclohexyl-4-fluorobutan-2-one?
The InChIKey is UTOGVLVLARWKTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17FO/c1-8(12)7-10(11)9-5-3-2-4-6-9/h9-10H,2-7H2,1H3.
What are the key properties of 4-cyclohexyl-4-fluorobutan-2-one?
4-cyclohexyl-4-fluorobutan-2-one has a molecular weight of 172.24 g/mol, XLogP of 2.88, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexyl-4-fluorobutan-2-one is sourced from PubChem (CID 105435232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).