2-amino-1-[2-fluoro-3-(methoxymethyl)phenyl]ethanone

C10H12FNO2 — CID 117286739

IUPAC2-amino-1-[2-fluoro-3-(methoxymethyl)phenyl]ethanone
SMILESCOCc1cccc(C(=O)CN)c1F
InChIInChI=1S/C10H12FNO2/c1-14-6-7-3-2-4-8(10(7)11)9(13)5-12/h2-4H,5-6,12H2,1H3
InChIKeyYMVYNJCXJZNFOJ-UHFFFAOYSA-N
MW197.21 g/mol
LogP1.11
Rot. Bonds4

About 2-amino-1-[2-fluoro-3-(methoxymethyl)phenyl]ethanone

2-amino-1-[2-fluoro-3-(methoxymethyl)phenyl]ethanone (PubChem CID 117286739) has the molecular formula C10H12FNO2 and a molecular weight of 197.21 g/mol. Its IUPAC name is 2-amino-1-[2-fluoro-3-(methoxymethyl)phenyl]ethanone.

Molecular Properties

Compound Name2-amino-1-[2-fluoro-3-(methoxymethyl)phenyl]ethanone
PubChem CID117286739
Molecular FormulaC10H12FNO2
Molecular Weight197.21 g/mol
Exact Mass197.09
IUPAC Name2-amino-1-[2-fluoro-3-(methoxymethyl)phenyl]ethanone
SMILESCOCc1cccc(C(=O)CN)c1F
InChIInChI=1S/C10H12FNO2/c1-14-6-7-3-2-4-8(10(7)11)9(13)5-12/h2-4H,5-6,12H2,1H3
InChIKeyYMVYNJCXJZNFOJ-UHFFFAOYSA-N
XLogP1.11
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.21
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-1-[2,3-difluoro-4-(methoxymethyl)phenyl]ethanone
CID 117306249
2-amino-1-[2-bromo-6-(methoxymethyl)phenyl]ethanone
CID 117398321
2-amino-1-(2,3-difluorophenyl)ethanone;hydrochloride
CID 122360971
2-[2-fluoro-3-(methoxymethyl)phenyl]ethanamine
CID 117279565
2-amino-1-(3-chloro-2-fluorophenyl)ethanone
CID 81263230
3-amino-2-[2-fluoro-3-(methoxymethyl)phenyl]propanoic acid
CID 117326599
2-fluoro-1-methoxy-3-(methoxymethyl)benzene
CID 70661160
3-amino-1-[5-chloro-2-fluoro-3-(methoxymethyl)phenyl]propan-1-one
CID 117366578
CID 88945254
CID 88945254
2,3-difluoro-N-[[2-(methoxymethyl)phenyl]methyl]benzamide
CID 62649576
2-amino-1-[2,4-dimethoxy-5-(methoxymethyl)phenyl]ethanone
CID 117350605
2-[2-fluoro-3-(methoxymethyl)phenyl]propan-1-amine
CID 117287255

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[2-fluoro-3-(methoxymethyl)phenyl]ethanone?
The IUPAC name of 2-amino-1-[2-fluoro-3-(methoxymethyl)phenyl]ethanone (CID 117286739) is 2-amino-1-[2-fluoro-3-(methoxymethyl)phenyl]ethanone.
What is the SMILES notation for 2-amino-1-[2-fluoro-3-(methoxymethyl)phenyl]ethanone?
The canonical SMILES for 2-amino-1-[2-fluoro-3-(methoxymethyl)phenyl]ethanone is COCc1cccc(C(=O)CN)c1F.
What is the InChIKey of 2-amino-1-[2-fluoro-3-(methoxymethyl)phenyl]ethanone?
The InChIKey is YMVYNJCXJZNFOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FNO2/c1-14-6-7-3-2-4-8(10(7)11)9(13)5-12/h2-4H,5-6,12H2,1H3.
What are the key properties of 2-amino-1-[2-fluoro-3-(methoxymethyl)phenyl]ethanone?
2-amino-1-[2-fluoro-3-(methoxymethyl)phenyl]ethanone has a molecular weight of 197.21 g/mol, XLogP of 1.11, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[2-fluoro-3-(methoxymethyl)phenyl]ethanone is sourced from PubChem (CID 117286739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).