1-(3-fluorophenyl)-2-methoxypentan-1-one

C12H15FO2 — CID 116708296

IUPAC1-(3-fluorophenyl)-2-methoxypentan-1-one
SMILESCCCC(OC)C(=O)c1cccc(F)c1
InChIInChI=1S/C12H15FO2/c1-3-5-11(15-2)12(14)9-6-4-7-10(13)8-9/h4,6-8,11H,3,5H2,1-2H3
InChIKeyBCFLGHLDZLIHBW-UHFFFAOYSA-N
MW210.25 g/mol
LogP2.82
Rot. Bonds5

About 1-(3-fluorophenyl)-2-methoxypentan-1-one

1-(3-fluorophenyl)-2-methoxypentan-1-one (PubChem CID 116708296) has the molecular formula C12H15FO2 and a molecular weight of 210.25 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-2-methoxypentan-1-one.

Molecular Properties

Compound Name1-(3-fluorophenyl)-2-methoxypentan-1-one
PubChem CID116708296
Molecular FormulaC12H15FO2
Molecular Weight210.25 g/mol
Exact Mass210.11
IUPAC Name1-(3-fluorophenyl)-2-methoxypentan-1-one
SMILESCCCC(OC)C(=O)c1cccc(F)c1
InChIInChI=1S/C12H15FO2/c1-3-5-11(15-2)12(14)9-6-4-7-10(13)8-9/h4,6-8,11H,3,5H2,1-2H3
InChIKeyBCFLGHLDZLIHBW-UHFFFAOYSA-N
XLogP2.82
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.25
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-methoxy-1-(3-methoxyphenyl)pentan-1-one
CID 116708051
1-(2-chloro-5-fluorophenyl)-2-methoxypentan-1-one
CID 105394391
2-amino-1-(3-fluorophenyl)-4-methoxybutan-1-one
CID 116567366
1-[3-hydroxy-4-(trifluoromethyl)phenyl]-2-methoxypentan-1-one
CID 162608087
methyl 2-amino-3-(3-fluorophenyl)-3-oxopropanoate
CID 102028983
3-amino-1-(3-fluorophenyl)hexan-1-one
CID 116607934
1-(3-fluorophenyl)-2,2-dihydroxyethanone
CID 55282672
2-(ethylamino)-1-(3-fluorophenyl)propan-1-one
CID 91696120
1-(2-fluoro-5-methylphenyl)-2-methoxypentan-1-one
CID 116708023
methyl 3-fluorobenzoate
CID 521184
2-ethoxy-1-(3-fluorophenyl)-2-phenylethanone
CID 116751792
2-amino-2-chloro-1-(3-fluorophenyl)ethanone
CID 19068512

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-2-methoxypentan-1-one?
The IUPAC name of 1-(3-fluorophenyl)-2-methoxypentan-1-one (CID 116708296) is 1-(3-fluorophenyl)-2-methoxypentan-1-one.
What is the SMILES notation for 1-(3-fluorophenyl)-2-methoxypentan-1-one?
The canonical SMILES for 1-(3-fluorophenyl)-2-methoxypentan-1-one is CCCC(OC)C(=O)c1cccc(F)c1.
What is the InChIKey of 1-(3-fluorophenyl)-2-methoxypentan-1-one?
The InChIKey is BCFLGHLDZLIHBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FO2/c1-3-5-11(15-2)12(14)9-6-4-7-10(13)8-9/h4,6-8,11H,3,5H2,1-2H3.
What are the key properties of 1-(3-fluorophenyl)-2-methoxypentan-1-one?
1-(3-fluorophenyl)-2-methoxypentan-1-one has a molecular weight of 210.25 g/mol, XLogP of 2.82, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-2-methoxypentan-1-one is sourced from PubChem (CID 116708296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).