1-cyclohexyl-3-(2-fluorophenyl)propan-2-one

C15H19FO — CID 61078076

IUPAC1-cyclohexyl-3-(2-fluorophenyl)propan-2-one
SMILESO=C(Cc1ccccc1F)CC1CCCCC1
InChIInChI=1S/C15H19FO/c16-15-9-5-4-8-13(15)11-14(17)10-12-6-2-1-3-7-12/h4-5,8-9,12H,1-3,6-7,10-11H2
InChIKeyYADGKSKLCAELSA-UHFFFAOYSA-N
MW234.31 g/mol
LogP3.91
Rot. Bonds4

About 1-cyclohexyl-3-(2-fluorophenyl)propan-2-one

1-cyclohexyl-3-(2-fluorophenyl)propan-2-one (PubChem CID 61078076) has the molecular formula C15H19FO and a molecular weight of 234.31 g/mol. Its IUPAC name is 1-cyclohexyl-3-(2-fluorophenyl)propan-2-one.

Molecular Properties

Compound Name1-cyclohexyl-3-(2-fluorophenyl)propan-2-one
PubChem CID61078076
Molecular FormulaC15H19FO
Molecular Weight234.31 g/mol
Exact Mass234.14
IUPAC Name1-cyclohexyl-3-(2-fluorophenyl)propan-2-one
SMILESO=C(Cc1ccccc1F)CC1CCCCC1
InChIInChI=1S/C15H19FO/c16-15-9-5-4-8-13(15)11-14(17)10-12-6-2-1-3-7-12/h4-5,8-9,12H,1-3,6-7,10-11H2
InChIKeyYADGKSKLCAELSA-UHFFFAOYSA-N
XLogP3.91
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.31
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-cyclobutyl-3-(2-fluorophenyl)propan-2-one
CID 65457629
1-cycloheptyl-3-(2,4-difluorophenyl)propan-2-one
CID 114458081
1-[2-(aminomethyl)phenyl]-3-cyclohexylpropan-2-one
CID 116596015
1-cyclopentyl-3-naphthalen-1-ylpropan-2-one
CID 61055471
1-cycloheptyloxy-3-(2-fluorophenyl)propan-2-one
CID 61071400
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CID 106203288
1-cyclopentyl-3-(2-fluoro-3-methoxyphenyl)propan-2-one
CID 115800128
cyclohexyl 2-(2-fluorophenyl)acetate
CID 78840084
1-cyclohexyl-3-(5-fluoro-2-methylphenyl)propan-2-one
CID 105376845
1-(cyclopropylmethoxy)-3-(2-fluorophenyl)propan-2-one
CID 43799215
1-cyclohexyl-3-quinolin-4-ylpropan-2-one
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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-(2-fluorophenyl)propan-2-one?
The IUPAC name of 1-cyclohexyl-3-(2-fluorophenyl)propan-2-one (CID 61078076) is 1-cyclohexyl-3-(2-fluorophenyl)propan-2-one.
What is the SMILES notation for 1-cyclohexyl-3-(2-fluorophenyl)propan-2-one?
The canonical SMILES for 1-cyclohexyl-3-(2-fluorophenyl)propan-2-one is O=C(Cc1ccccc1F)CC1CCCCC1.
What is the InChIKey of 1-cyclohexyl-3-(2-fluorophenyl)propan-2-one?
The InChIKey is YADGKSKLCAELSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FO/c16-15-9-5-4-8-13(15)11-14(17)10-12-6-2-1-3-7-12/h4-5,8-9,12H,1-3,6-7,10-11H2.
What are the key properties of 1-cyclohexyl-3-(2-fluorophenyl)propan-2-one?
1-cyclohexyl-3-(2-fluorophenyl)propan-2-one has a molecular weight of 234.31 g/mol, XLogP of 3.91, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-(2-fluorophenyl)propan-2-one is sourced from PubChem (CID 61078076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).