1-(4-amino-2-fluoro-5-methoxyphenyl)propan-1-one

C10H12FNO2 — CID 167626065

IUPAC1-(4-amino-2-fluoro-5-methoxyphenyl)propan-1-one
SMILESCCC(=O)c1cc(OC)c(N)cc1F
InChIInChI=1S/C10H12FNO2/c1-3-9(13)6-4-10(14-2)8(12)5-7(6)11/h4-5H,3,12H2,1-2H3
InChIKeyAVOWYXPZDZUEBH-UHFFFAOYSA-N
MW197.21 g/mol
LogP2.01
Rot. Bonds3

About 1-(4-amino-2-fluoro-5-methoxyphenyl)propan-1-one

1-(4-amino-2-fluoro-5-methoxyphenyl)propan-1-one (PubChem CID 167626065) has the molecular formula C10H12FNO2 and a molecular weight of 197.21 g/mol. Its IUPAC name is 1-(4-amino-2-fluoro-5-methoxyphenyl)propan-1-one.

Molecular Properties

Compound Name1-(4-amino-2-fluoro-5-methoxyphenyl)propan-1-one
PubChem CID167626065
Molecular FormulaC10H12FNO2
Molecular Weight197.21 g/mol
Exact Mass197.09
IUPAC Name1-(4-amino-2-fluoro-5-methoxyphenyl)propan-1-one
SMILESCCC(=O)c1cc(OC)c(N)cc1F
InChIInChI=1S/C10H12FNO2/c1-3-9(13)6-4-10(14-2)8(12)5-7(6)11/h4-5H,3,12H2,1-2H3
InChIKeyAVOWYXPZDZUEBH-UHFFFAOYSA-N
XLogP2.01
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.21
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-(2-amino-5-fluoro-4-methoxyphenyl)propan-1-one
CID 165444384
1-(5-amino-2-fluoro-4-methoxyphenyl)-2-bromoethanone
CID 171018288
1-(2-amino-4,5-dimethoxyphenyl)propan-1-one
CID 7148511
4-amino-2-fluoro-5-methoxy-N-methylbenzamide
CID 89121907
1-(4-amino-2-fluoro-5-methoxyphenyl)ethenol
CID 156712123
2-fluoro-5-methoxybenzene-1,4-diamine
CID 107258755
1-(2-fluoro-5-methoxyphenyl)propan-1-one
CID 71322080
ethyl 2-fluoro-4,5-dimethoxybenzoate
CID 163198249
4-amino-N-(1-ethylazetidin-3-yl)-2-fluoro-5-methoxybenzamide
CID 89192526
3-chloro-1-(2-fluoro-4,5-dimethoxyphenyl)propan-1-one
CID 104645825
ethyl 2-(4-amino-2-fluoro-5-methoxyphenyl)sulfanylacetate
CID 107260171
2-(4-amino-2-fluoro-5-methoxy-N-methylanilino)acetic acid
CID 107259139

Frequently Asked Questions

What is the IUPAC name of 1-(4-amino-2-fluoro-5-methoxyphenyl)propan-1-one?
The IUPAC name of 1-(4-amino-2-fluoro-5-methoxyphenyl)propan-1-one (CID 167626065) is 1-(4-amino-2-fluoro-5-methoxyphenyl)propan-1-one.
What is the SMILES notation for 1-(4-amino-2-fluoro-5-methoxyphenyl)propan-1-one?
The canonical SMILES for 1-(4-amino-2-fluoro-5-methoxyphenyl)propan-1-one is CCC(=O)c1cc(OC)c(N)cc1F.
What is the InChIKey of 1-(4-amino-2-fluoro-5-methoxyphenyl)propan-1-one?
The InChIKey is AVOWYXPZDZUEBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FNO2/c1-3-9(13)6-4-10(14-2)8(12)5-7(6)11/h4-5H,3,12H2,1-2H3.
What are the key properties of 1-(4-amino-2-fluoro-5-methoxyphenyl)propan-1-one?
1-(4-amino-2-fluoro-5-methoxyphenyl)propan-1-one has a molecular weight of 197.21 g/mol, XLogP of 2.01, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-amino-2-fluoro-5-methoxyphenyl)propan-1-one is sourced from PubChem (CID 167626065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).