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

C13H17FO2 — CID 43798706

IUPAC1-(2-fluorophenyl)-3-(2-methylpropoxy)propan-2-one
SMILESCC(C)COCC(=O)Cc1ccccc1F
InChIInChI=1S/C13H17FO2/c1-10(2)8-16-9-12(15)7-11-5-3-4-6-13(11)14/h3-6,10H,7-9H2,1-2H3
InChIKeyGWWMIXGIUDBIMN-UHFFFAOYSA-N
MW224.28 g/mol
LogP2.61
Rot. Bonds6

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

1-(2-fluorophenyl)-3-(2-methylpropoxy)propan-2-one (PubChem CID 43798706) has the molecular formula C13H17FO2 and a molecular weight of 224.28 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-3-(2-methylpropoxy)propan-2-one.

Molecular Properties

Compound Name1-(2-fluorophenyl)-3-(2-methylpropoxy)propan-2-one
PubChem CID43798706
Molecular FormulaC13H17FO2
Molecular Weight224.28 g/mol
Exact Mass224.12
IUPAC Name1-(2-fluorophenyl)-3-(2-methylpropoxy)propan-2-one
SMILESCC(C)COCC(=O)Cc1ccccc1F
InChIInChI=1S/C13H17FO2/c1-10(2)8-16-9-12(15)7-11-5-3-4-6-13(11)14/h3-6,10H,7-9H2,1-2H3
InChIKeyGWWMIXGIUDBIMN-UHFFFAOYSA-N
XLogP2.61
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.28
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-fluorophenyl)-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propan-2-one
CID 112588325
1-(2-fluorophenyl)-6-methylheptane-2,4-dione
CID 58474750
1-(cyclopropylmethoxy)-3-(2-fluorophenyl)propan-2-one
CID 43799215
1-(2-fluorophenyl)-3-(2-phenoxyethoxy)propan-2-one
CID 43798579
1-(2-fluorophenyl)-3-phenoxypropan-2-one
CID 43799913
1-[2-(2-methylpropoxy)ethoxy]-3-phenylpropan-2-one
CID 106448309
2-methylpropyl (2S)-2-amino-3-(2-fluorophenyl)propanoate
CID 102062750
N-[1-(2-fluorophenyl)propan-2-yl]-3-(2-methylpropoxy)propanamide
CID 86828580
1-(2-cyclobutylethoxy)-3-(2-fluorophenyl)propan-2-one
CID 106203288
1-cycloheptyloxy-3-(2-fluorophenyl)propan-2-one
CID 61071400
propan-2-yl 3-(2-fluorophenyl)-2-oxopropanoate
CID 18370977
1-[ethyl(1-methoxypropan-2-yl)amino]-3-(2-fluorophenyl)propan-2-one
CID 55010600

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-3-(2-methylpropoxy)propan-2-one?
The IUPAC name of 1-(2-fluorophenyl)-3-(2-methylpropoxy)propan-2-one (CID 43798706) is 1-(2-fluorophenyl)-3-(2-methylpropoxy)propan-2-one.
What is the SMILES notation for 1-(2-fluorophenyl)-3-(2-methylpropoxy)propan-2-one?
The canonical SMILES for 1-(2-fluorophenyl)-3-(2-methylpropoxy)propan-2-one is CC(C)COCC(=O)Cc1ccccc1F.
What is the InChIKey of 1-(2-fluorophenyl)-3-(2-methylpropoxy)propan-2-one?
The InChIKey is GWWMIXGIUDBIMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FO2/c1-10(2)8-16-9-12(15)7-11-5-3-4-6-13(11)14/h3-6,10H,7-9H2,1-2H3.
What are the key properties of 1-(2-fluorophenyl)-3-(2-methylpropoxy)propan-2-one?
1-(2-fluorophenyl)-3-(2-methylpropoxy)propan-2-one has a molecular weight of 224.28 g/mol, XLogP of 2.61, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-3-(2-methylpropoxy)propan-2-one is sourced from PubChem (CID 43798706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).