1-(4-fluorophenyl)-2-(2-methylpropoxy)propan-1-one

C13H17FO2 — CID 43798747

IUPAC1-(4-fluorophenyl)-2-(2-methylpropoxy)propan-1-one
SMILESCC(C)COC(C)C(=O)c1ccc(F)cc1
InChIInChI=1S/C13H17FO2/c1-9(2)8-16-10(3)13(15)11-4-6-12(14)7-5-11/h4-7,9-10H,8H2,1-3H3
InChIKeyCNLFPTXLLXXXFW-UHFFFAOYSA-N
MW224.28 g/mol
LogP3.07
Rot. Bonds5

About 1-(4-fluorophenyl)-2-(2-methylpropoxy)propan-1-one

1-(4-fluorophenyl)-2-(2-methylpropoxy)propan-1-one (PubChem CID 43798747) has the molecular formula C13H17FO2 and a molecular weight of 224.28 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-2-(2-methylpropoxy)propan-1-one.

Molecular Properties

Compound Name1-(4-fluorophenyl)-2-(2-methylpropoxy)propan-1-one
PubChem CID43798747
Molecular FormulaC13H17FO2
Molecular Weight224.28 g/mol
Exact Mass224.12
IUPAC Name1-(4-fluorophenyl)-2-(2-methylpropoxy)propan-1-one
SMILESCC(C)COC(C)C(=O)c1ccc(F)cc1
InChIInChI=1S/C13H17FO2/c1-9(2)8-16-10(3)13(15)11-4-6-12(14)7-5-11/h4-7,9-10H,8H2,1-3H3
InChIKeyCNLFPTXLLXXXFW-UHFFFAOYSA-N
XLogP3.07
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.28
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-fluorophenyl)-2-(3-methoxypropoxy)propan-1-one
CID 54936830
1-(4-fluorophenyl)-2-(2,2,3,3-tetrafluoropropoxy)propan-1-one
CID 43800992
2-(2,2-difluoroethoxy)-1-(4-ethylphenyl)propan-1-one
CID 82006429
2-[ethyl(methyl)amino]-1-(4-fluorophenyl)propan-1-one
CID 43794816
1-(4-fluorophenyl)-3-(2-methylpropoxy)propan-1-one
CID 43793380
1-(4-fluorophenyl)-2-(2-propan-2-ylphenoxy)propan-1-one
CID 43413854
(2S)-1-(4-fluorophenyl)-2,3-dimethylbutan-1-one
CID 143361678
1-fluoro-4-[1-(2-methylpropoxy)ethyl]benzene
CID 91711845
4-fluoro-N,N-bis(2-methylpropyl)benzamide
CID 17386163
2-(2-ethylbutoxy)-1-(4-methoxyphenyl)propan-1-one
CID 114208468
1-(4-fluorophenyl)-4-(2-methylpropoxy)butan-1-one
CID 43793381
2-[ethyl(1-methoxypropan-2-yl)amino]-1-(4-fluorophenyl)propan-1-one
CID 55010167

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-2-(2-methylpropoxy)propan-1-one?
The IUPAC name of 1-(4-fluorophenyl)-2-(2-methylpropoxy)propan-1-one (CID 43798747) is 1-(4-fluorophenyl)-2-(2-methylpropoxy)propan-1-one.
What is the SMILES notation for 1-(4-fluorophenyl)-2-(2-methylpropoxy)propan-1-one?
The canonical SMILES for 1-(4-fluorophenyl)-2-(2-methylpropoxy)propan-1-one is CC(C)COC(C)C(=O)c1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-2-(2-methylpropoxy)propan-1-one?
The InChIKey is CNLFPTXLLXXXFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FO2/c1-9(2)8-16-10(3)13(15)11-4-6-12(14)7-5-11/h4-7,9-10H,8H2,1-3H3.
What are the key properties of 1-(4-fluorophenyl)-2-(2-methylpropoxy)propan-1-one?
1-(4-fluorophenyl)-2-(2-methylpropoxy)propan-1-one has a molecular weight of 224.28 g/mol, XLogP of 3.07, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-2-(2-methylpropoxy)propan-1-one is sourced from PubChem (CID 43798747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).