1-cyclohexyl-3-(5-fluoro-2-methylphenyl)propan-2-one

C16H21FO — CID 105376845

IUPAC1-cyclohexyl-3-(5-fluoro-2-methylphenyl)propan-2-one
SMILESCc1ccc(F)cc1CC(=O)CC1CCCCC1
InChIInChI=1S/C16H21FO/c1-12-7-8-15(17)10-14(12)11-16(18)9-13-5-3-2-4-6-13/h7-8,10,13H,2-6,9,11H2,1H3
InChIKeyQLTKSWLWDYTIDD-UHFFFAOYSA-N
MW248.34 g/mol
LogP4.22
Rot. Bonds4

About 1-cyclohexyl-3-(5-fluoro-2-methylphenyl)propan-2-one

1-cyclohexyl-3-(5-fluoro-2-methylphenyl)propan-2-one (PubChem CID 105376845) has the molecular formula C16H21FO and a molecular weight of 248.34 g/mol. Its IUPAC name is 1-cyclohexyl-3-(5-fluoro-2-methylphenyl)propan-2-one.

Molecular Properties

Compound Name1-cyclohexyl-3-(5-fluoro-2-methylphenyl)propan-2-one
PubChem CID105376845
Molecular FormulaC16H21FO
Molecular Weight248.34 g/mol
Exact Mass248.16
IUPAC Name1-cyclohexyl-3-(5-fluoro-2-methylphenyl)propan-2-one
SMILESCc1ccc(F)cc1CC(=O)CC1CCCCC1
InChIInChI=1S/C16H21FO/c1-12-7-8-15(17)10-14(12)11-16(18)9-13-5-3-2-4-6-13/h7-8,10,13H,2-6,9,11H2,1H3
InChIKeyQLTKSWLWDYTIDD-UHFFFAOYSA-N
XLogP4.22
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.34
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-cyclopentyl-3-(4-fluoro-2-methylphenyl)propan-2-one
CID 115812569
1-cycloheptyl-3-(2,4-difluorophenyl)propan-2-one
CID 114458081
2-(2-cyclohexylethyl)-4-fluoro-1-methylbenzene;2-(2-cyclopentylethyl)-4-fluoro-1-methylbenzene;ethene
CID 145488932
1-cyclohexyl-3-(2,6-dimethylphenyl)propan-2-one
CID 115792622
1-cyclopentyl-3-(2-fluoro-3-methoxyphenyl)propan-2-one
CID 115800128
1-(5-fluoro-2-methylphenyl)-3-[1-(methylamino)cyclohexyl]propan-2-one
CID 105376593
1-cyclopentyl-3-(2,6-dimethylphenyl)propan-2-one
CID 115792473
4-(ethylamino)-1-(5-fluoro-2-methylphenyl)butan-2-one
CID 105376564
1-(5-fluoro-2-methylphenyl)-3-(propan-2-ylamino)propan-2-one
CID 105376529
1-cyclohexyl-3-(5-fluoro-2-methylphenyl)propan-2-amine
CID 105377006
1-(5-fluoro-2-methylphenyl)-5-hydroxypentan-2-one
CID 106677668
2-(5-fluoro-2-methylphenyl)-1-(thiolan-2-yl)ethanone
CID 105373334

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-(5-fluoro-2-methylphenyl)propan-2-one?
The IUPAC name of 1-cyclohexyl-3-(5-fluoro-2-methylphenyl)propan-2-one (CID 105376845) is 1-cyclohexyl-3-(5-fluoro-2-methylphenyl)propan-2-one.
What is the SMILES notation for 1-cyclohexyl-3-(5-fluoro-2-methylphenyl)propan-2-one?
The canonical SMILES for 1-cyclohexyl-3-(5-fluoro-2-methylphenyl)propan-2-one is Cc1ccc(F)cc1CC(=O)CC1CCCCC1.
What is the InChIKey of 1-cyclohexyl-3-(5-fluoro-2-methylphenyl)propan-2-one?
The InChIKey is QLTKSWLWDYTIDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FO/c1-12-7-8-15(17)10-14(12)11-16(18)9-13-5-3-2-4-6-13/h7-8,10,13H,2-6,9,11H2,1H3.
What are the key properties of 1-cyclohexyl-3-(5-fluoro-2-methylphenyl)propan-2-one?
1-cyclohexyl-3-(5-fluoro-2-methylphenyl)propan-2-one has a molecular weight of 248.34 g/mol, XLogP of 4.22, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-(5-fluoro-2-methylphenyl)propan-2-one is sourced from PubChem (CID 105376845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).