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

C11H13FO2 — CID 135043866

IUPAC4-fluoro-1-(3-methoxyphenyl)butan-1-one
SMILESCOc1cccc(C(=O)CCCF)c1
InChIInChI=1S/C11H13FO2/c1-14-10-5-2-4-9(8-10)11(13)6-3-7-12/h2,4-5,8H,3,6-7H2,1H3
InChIKeyBYCLVTZTLNDMTR-UHFFFAOYSA-N
MW196.22 g/mol
LogP2.63
Rot. Bonds5

About 4-fluoro-1-(3-methoxyphenyl)butan-1-one

4-fluoro-1-(3-methoxyphenyl)butan-1-one (PubChem CID 135043866) has the molecular formula C11H13FO2 and a molecular weight of 196.22 g/mol. Its IUPAC name is 4-fluoro-1-(3-methoxyphenyl)butan-1-one.

Molecular Properties

Compound Name4-fluoro-1-(3-methoxyphenyl)butan-1-one
PubChem CID135043866
Molecular FormulaC11H13FO2
Molecular Weight196.22 g/mol
Exact Mass196.09
IUPAC Name4-fluoro-1-(3-methoxyphenyl)butan-1-one
SMILESCOc1cccc(C(=O)CCCF)c1
InChIInChI=1S/C11H13FO2/c1-14-10-5-2-4-9(8-10)11(13)6-3-7-12/h2,4-5,8H,3,6-7H2,1H3
InChIKeyBYCLVTZTLNDMTR-UHFFFAOYSA-N
XLogP2.63
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.22
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-methoxy-1-(3-methoxyphenyl)butan-1-one
CID 62620743
1-(3-methoxyphenyl)tetradecan-1-one
CID 146007363
2-hydroxy-1-(3-methoxyphenyl)ethanone
CID 23505111
6-amino-1-(3-methoxyphenyl)-4,4-dimethylhexan-1-one
CID 116574825
1-(3-methoxyphenyl)propan-1-one;propane
CID 142960525
1-(3-methoxyphenyl)-2-pyridin-4-ylethanone
CID 11276228
4-(3-methoxyphenoxy)-1-phenylbutan-1-one
CID 43218335
2-(3-fluorophenyl)-1-(3-methoxyphenyl)ethanone
CID 60797583
1-(3-methoxyphenyl)-4-(oxolan-2-yl)butan-1-one
CID 65167309
1-(1-benzofuran-5-yl)-4-(3-methoxyphenyl)butane-1,4-dione
CID 90363608
2-ethylsulfonyl-1-(3-methoxyphenyl)ethanone
CID 64643903
2-[2-(aminomethyl)phenyl]-1-(3-methoxyphenyl)ethanone
CID 116595979

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-1-(3-methoxyphenyl)butan-1-one?
The IUPAC name of 4-fluoro-1-(3-methoxyphenyl)butan-1-one (CID 135043866) is 4-fluoro-1-(3-methoxyphenyl)butan-1-one.
What is the SMILES notation for 4-fluoro-1-(3-methoxyphenyl)butan-1-one?
The canonical SMILES for 4-fluoro-1-(3-methoxyphenyl)butan-1-one is COc1cccc(C(=O)CCCF)c1.
What is the InChIKey of 4-fluoro-1-(3-methoxyphenyl)butan-1-one?
The InChIKey is BYCLVTZTLNDMTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FO2/c1-14-10-5-2-4-9(8-10)11(13)6-3-7-12/h2,4-5,8H,3,6-7H2,1H3.
What are the key properties of 4-fluoro-1-(3-methoxyphenyl)butan-1-one?
4-fluoro-1-(3-methoxyphenyl)butan-1-one has a molecular weight of 196.22 g/mol, XLogP of 2.63, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-1-(3-methoxyphenyl)butan-1-one is sourced from PubChem (CID 135043866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).