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

C13H15FO2 — CID 43799215

IUPAC1-(cyclopropylmethoxy)-3-(2-fluorophenyl)propan-2-one
SMILESO=C(COCC1CC1)Cc1ccccc1F
InChIInChI=1S/C13H15FO2/c14-13-4-2-1-3-11(13)7-12(15)9-16-8-10-5-6-10/h1-4,10H,5-9H2
InChIKeyUZOIZQOUXKQCCV-UHFFFAOYSA-N
MW222.26 g/mol
LogP2.36
Rot. Bonds6

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

1-(cyclopropylmethoxy)-3-(2-fluorophenyl)propan-2-one (PubChem CID 43799215) has the molecular formula C13H15FO2 and a molecular weight of 222.26 g/mol. Its IUPAC name is 1-(cyclopropylmethoxy)-3-(2-fluorophenyl)propan-2-one.

Molecular Properties

Compound Name1-(cyclopropylmethoxy)-3-(2-fluorophenyl)propan-2-one
PubChem CID43799215
Molecular FormulaC13H15FO2
Molecular Weight222.26 g/mol
Exact Mass222.11
IUPAC Name1-(cyclopropylmethoxy)-3-(2-fluorophenyl)propan-2-one
SMILESO=C(COCC1CC1)Cc1ccccc1F
InChIInChI=1S/C13H15FO2/c14-13-4-2-1-3-11(13)7-12(15)9-16-8-10-5-6-10/h1-4,10H,5-9H2
InChIKeyUZOIZQOUXKQCCV-UHFFFAOYSA-N
XLogP2.36
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.26
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-cyclobutylethoxy)-3-(2-fluorophenyl)propan-2-one
CID 106203288
1-(2-fluorophenyl)-3-(2-methylpropoxy)propan-2-one
CID 43798706
1-cycloheptyloxy-3-(2-fluorophenyl)propan-2-one
CID 61071400
1-cyclobutyl-3-(2-fluorophenyl)propan-2-one
CID 65457629
1-cyclohexyl-3-(2-fluorophenyl)propan-2-one
CID 61078076
1-(2-fluorophenyl)-3-(2-phenoxyethoxy)propan-2-one
CID 43798579
1-(2-fluorophenyl)-3-(3-methylcyclohexyl)oxypropan-2-one
CID 43800867
1-(2-fluorophenyl)-3-phenoxypropan-2-one
CID 43799913
1-(2-fluorophenyl)-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propan-2-one
CID 112588325
4-[(2-fluorophenyl)methoxymethyl]cyclohexan-1-one
CID 58923599
1-(2-fluorophenyl)-3-(3-pyridin-4-ylpropoxy)propan-2-one
CID 62031771
1-(2-fluorophenyl)-2-(oxan-4-ylmethoxy)ethanone
CID 62381911

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethoxy)-3-(2-fluorophenyl)propan-2-one?
The IUPAC name of 1-(cyclopropylmethoxy)-3-(2-fluorophenyl)propan-2-one (CID 43799215) is 1-(cyclopropylmethoxy)-3-(2-fluorophenyl)propan-2-one.
What is the SMILES notation for 1-(cyclopropylmethoxy)-3-(2-fluorophenyl)propan-2-one?
The canonical SMILES for 1-(cyclopropylmethoxy)-3-(2-fluorophenyl)propan-2-one is O=C(COCC1CC1)Cc1ccccc1F.
What is the InChIKey of 1-(cyclopropylmethoxy)-3-(2-fluorophenyl)propan-2-one?
The InChIKey is UZOIZQOUXKQCCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FO2/c14-13-4-2-1-3-11(13)7-12(15)9-16-8-10-5-6-10/h1-4,10H,5-9H2.
What are the key properties of 1-(cyclopropylmethoxy)-3-(2-fluorophenyl)propan-2-one?
1-(cyclopropylmethoxy)-3-(2-fluorophenyl)propan-2-one has a molecular weight of 222.26 g/mol, XLogP of 2.36, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethoxy)-3-(2-fluorophenyl)propan-2-one is sourced from PubChem (CID 43799215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).