1-(3-fluoro-2-methoxyphenyl)butan-1-one

C11H13FO2 — CID 66969417

IUPAC1-(3-fluoro-2-methoxyphenyl)butan-1-one
SMILESCCCC(=O)c1cccc(F)c1OC
InChIInChI=1S/C11H13FO2/c1-3-5-10(13)8-6-4-7-9(12)11(8)14-2/h4,6-7H,3,5H2,1-2H3
InChIKeyGERXCCBNIWQYBJ-UHFFFAOYSA-N
MW196.22 g/mol
LogP2.82
Rot. Bonds4

About 1-(3-fluoro-2-methoxyphenyl)butan-1-one

1-(3-fluoro-2-methoxyphenyl)butan-1-one (PubChem CID 66969417) has the molecular formula C11H13FO2 and a molecular weight of 196.22 g/mol. Its IUPAC name is 1-(3-fluoro-2-methoxyphenyl)butan-1-one.

Molecular Properties

Compound Name1-(3-fluoro-2-methoxyphenyl)butan-1-one
PubChem CID66969417
Molecular FormulaC11H13FO2
Molecular Weight196.22 g/mol
Exact Mass196.09
IUPAC Name1-(3-fluoro-2-methoxyphenyl)butan-1-one
SMILESCCCC(=O)c1cccc(F)c1OC
InChIInChI=1S/C11H13FO2/c1-3-5-10(13)8-6-4-7-9(12)11(8)14-2/h4,6-7H,3,5H2,1-2H3
InChIKeyGERXCCBNIWQYBJ-UHFFFAOYSA-N
XLogP2.82
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.22
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-fluoro-2-methoxyphenyl)propan-1-one
CID 69108587
bis(3-fluoro-2-methoxyphenyl)methanone
CID 174934550
3-amino-1-(4-fluoro-2,3-dimethoxyphenyl)propan-1-one
CID 117326576
2-ethyl-1-(3-fluoro-2-methoxyphenyl)hexan-1-one
CID 146008444
2-amino-1-(3-fluoro-2-methoxyphenyl)propan-1-one
CID 82399071
3-chloro-1-(3-fluoro-2-methoxyphenyl)-2,2-dimethylpropan-1-one
CID 146008428
3-amino-1-(2,3-dimethoxy-4-methylphenyl)propan-1-one
CID 117319773
1-(3-hydroxy-2-methoxyphenyl)pentane-1,4-dione
CID 155288895
3-amino-1-(3-chloro-4-fluoro-2-methoxyphenyl)propan-1-one
CID 117335331
CID 70867691
CID 70867691
1-(2,3-dihydroxyphenyl)butan-1-one
CID 23094385
1-(2-fluorophenyl)butan-1-one;2-propoxybutane
CID 156796432

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-2-methoxyphenyl)butan-1-one?
The IUPAC name of 1-(3-fluoro-2-methoxyphenyl)butan-1-one (CID 66969417) is 1-(3-fluoro-2-methoxyphenyl)butan-1-one.
What is the SMILES notation for 1-(3-fluoro-2-methoxyphenyl)butan-1-one?
The canonical SMILES for 1-(3-fluoro-2-methoxyphenyl)butan-1-one is CCCC(=O)c1cccc(F)c1OC.
What is the InChIKey of 1-(3-fluoro-2-methoxyphenyl)butan-1-one?
The InChIKey is GERXCCBNIWQYBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FO2/c1-3-5-10(13)8-6-4-7-9(12)11(8)14-2/h4,6-7H,3,5H2,1-2H3.
What are the key properties of 1-(3-fluoro-2-methoxyphenyl)butan-1-one?
1-(3-fluoro-2-methoxyphenyl)butan-1-one has a molecular weight of 196.22 g/mol, XLogP of 2.82, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-2-methoxyphenyl)butan-1-one is sourced from PubChem (CID 66969417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).