1-(2-fluorophenyl)-3-(3-methylcyclohexyl)oxypropan-2-one

C16H21FO2 — CID 43800867

IUPAC1-(2-fluorophenyl)-3-(3-methylcyclohexyl)oxypropan-2-one
SMILESCC1CCCC(OCC(=O)Cc2ccccc2F)C1
InChIInChI=1S/C16H21FO2/c1-12-5-4-7-15(9-12)19-11-14(18)10-13-6-2-3-8-16(13)17/h2-3,6,8,12,15H,4-5,7,9-11H2,1H3
InChIKeyCZSSBHBUKKMITE-UHFFFAOYSA-N
MW264.34 g/mol
LogP3.53
Rot. Bonds5

About 1-(2-fluorophenyl)-3-(3-methylcyclohexyl)oxypropan-2-one

1-(2-fluorophenyl)-3-(3-methylcyclohexyl)oxypropan-2-one (PubChem CID 43800867) has the molecular formula C16H21FO2 and a molecular weight of 264.34 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-3-(3-methylcyclohexyl)oxypropan-2-one.

Molecular Properties

Compound Name1-(2-fluorophenyl)-3-(3-methylcyclohexyl)oxypropan-2-one
PubChem CID43800867
Molecular FormulaC16H21FO2
Molecular Weight264.34 g/mol
Exact Mass264.15
IUPAC Name1-(2-fluorophenyl)-3-(3-methylcyclohexyl)oxypropan-2-one
SMILESCC1CCCC(OCC(=O)Cc2ccccc2F)C1
InChIInChI=1S/C16H21FO2/c1-12-5-4-7-15(9-12)19-11-14(18)10-13-6-2-3-8-16(13)17/h2-3,6,8,12,15H,4-5,7,9-11H2,1H3
InChIKeyCZSSBHBUKKMITE-UHFFFAOYSA-N
XLogP3.53
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.34
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-cycloheptyloxy-3-(2-fluorophenyl)propan-2-one
CID 61071400
1-[(2-fluorophenyl)methylamino]-3-(3-methylcyclohexyl)oxypropan-2-ol
CID 60633099
1-(3-fluorophenyl)-2-(3-methylcyclohexyl)oxyethanone
CID 43800886
1-(cyclopropylmethoxy)-3-(2-fluorophenyl)propan-2-one
CID 43799215
1-(2-cyclobutylethoxy)-3-(2-fluorophenyl)propan-2-one
CID 106203288
1-cyclobutyl-3-(2-fluorophenyl)propan-2-one
CID 65457629
2-(3-methylcyclohexyl)oxy-1-(4-methylsulfanylphenyl)ethanone
CID 43800934
1-(furan-2-yl)-2-(3-methylcyclohexyl)oxyethanone
CID 43800878
2-(3-methylcyclohexyl)oxy-1-(1-methylpyrrol-2-yl)ethanone
CID 43800873
1-(2-fluorophenyl)-3-(2-methylpropoxy)propan-2-one
CID 43798706
N-[(2-fluorophenyl)methyl]-3-methylcyclohexan-1-amine
CID 43178807
cyclohexyl 2-(2-fluorophenyl)acetate
CID 78840084

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-3-(3-methylcyclohexyl)oxypropan-2-one?
The IUPAC name of 1-(2-fluorophenyl)-3-(3-methylcyclohexyl)oxypropan-2-one (CID 43800867) is 1-(2-fluorophenyl)-3-(3-methylcyclohexyl)oxypropan-2-one.
What is the SMILES notation for 1-(2-fluorophenyl)-3-(3-methylcyclohexyl)oxypropan-2-one?
The canonical SMILES for 1-(2-fluorophenyl)-3-(3-methylcyclohexyl)oxypropan-2-one is CC1CCCC(OCC(=O)Cc2ccccc2F)C1.
What is the InChIKey of 1-(2-fluorophenyl)-3-(3-methylcyclohexyl)oxypropan-2-one?
The InChIKey is CZSSBHBUKKMITE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FO2/c1-12-5-4-7-15(9-12)19-11-14(18)10-13-6-2-3-8-16(13)17/h2-3,6,8,12,15H,4-5,7,9-11H2,1H3.
What are the key properties of 1-(2-fluorophenyl)-3-(3-methylcyclohexyl)oxypropan-2-one?
1-(2-fluorophenyl)-3-(3-methylcyclohexyl)oxypropan-2-one has a molecular weight of 264.34 g/mol, XLogP of 3.53, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-3-(3-methylcyclohexyl)oxypropan-2-one is sourced from PubChem (CID 43800867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).