2-amino-1-(2-fluoro-3,5,6-trimethoxyphenyl)ethanone

C11H14FNO4 — CID 117359258

IUPAC2-amino-1-(2-fluoro-3,5,6-trimethoxyphenyl)ethanone
SMILESCOc1cc(OC)c(OC)c(C(=O)CN)c1F
InChIInChI=1S/C11H14FNO4/c1-15-7-4-8(16-2)11(17-3)9(10(7)12)6(14)5-13/h4H,5,13H2,1-3H3
InChIKeyMMHBQOMDNIPRIF-UHFFFAOYSA-N
MW243.23 g/mol
LogP0.99
Rot. Bonds5

About 2-amino-1-(2-fluoro-3,5,6-trimethoxyphenyl)ethanone

2-amino-1-(2-fluoro-3,5,6-trimethoxyphenyl)ethanone (PubChem CID 117359258) has the molecular formula C11H14FNO4 and a molecular weight of 243.23 g/mol. Its IUPAC name is 2-amino-1-(2-fluoro-3,5,6-trimethoxyphenyl)ethanone.

Molecular Properties

Compound Name2-amino-1-(2-fluoro-3,5,6-trimethoxyphenyl)ethanone
PubChem CID117359258
Molecular FormulaC11H14FNO4
Molecular Weight243.23 g/mol
Exact Mass243.09
IUPAC Name2-amino-1-(2-fluoro-3,5,6-trimethoxyphenyl)ethanone
SMILESCOc1cc(OC)c(OC)c(C(=O)CN)c1F
InChIInChI=1S/C11H14FNO4/c1-15-7-4-8(16-2)11(17-3)9(10(7)12)6(14)5-13/h4H,5,13H2,1-3H3
InChIKeyMMHBQOMDNIPRIF-UHFFFAOYSA-N
XLogP0.99
TPSA70.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.23
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-1-(2-chloro-3-fluoro-5,6-dimethoxyphenyl)ethanone
CID 84706246
2-amino-1-(5-chloro-2-fluoro-6-hydroxy-3-methoxyphenyl)ethanone
CID 84796525
2-bromo-1-(2,6-difluoro-3,5-dimethoxyphenyl)ethanone
CID 151539993
2-amino-1-(3,4,5-trimethoxyphenyl)ethanone;hydrochloride
CID 22281599
3-amino-1-(2,3,6-trifluoro-5-methoxyphenyl)propan-1-one
CID 117337381
2-amino-1-(2-chloro-5,6-dimethoxy-3-propan-2-ylphenyl)ethanone
CID 117432238
2-amino-1-(2-hydroxy-3-methoxy-5,6-dimethylphenyl)ethanone
CID 117298533
3-chloro-2-fluoro-5,6-dimethoxybenzoic acid
CID 117341260
2-amino-1-(5-fluoro-2-methoxyphenyl)ethanone
CID 79002350
5-chloro-2-fluoro-3,6-dimethoxybenzoic acid
CID 84797146
3-(2-fluoro-3,5,6-trimethoxyphenyl)propan-1-amine
CID 117359859
2-amino-1-(3-fluoro-4-methoxyphenyl)ethanone
CID 23354759

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(2-fluoro-3,5,6-trimethoxyphenyl)ethanone?
The IUPAC name of 2-amino-1-(2-fluoro-3,5,6-trimethoxyphenyl)ethanone (CID 117359258) is 2-amino-1-(2-fluoro-3,5,6-trimethoxyphenyl)ethanone.
What is the SMILES notation for 2-amino-1-(2-fluoro-3,5,6-trimethoxyphenyl)ethanone?
The canonical SMILES for 2-amino-1-(2-fluoro-3,5,6-trimethoxyphenyl)ethanone is COc1cc(OC)c(OC)c(C(=O)CN)c1F.
What is the InChIKey of 2-amino-1-(2-fluoro-3,5,6-trimethoxyphenyl)ethanone?
The InChIKey is MMHBQOMDNIPRIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FNO4/c1-15-7-4-8(16-2)11(17-3)9(10(7)12)6(14)5-13/h4H,5,13H2,1-3H3.
What are the key properties of 2-amino-1-(2-fluoro-3,5,6-trimethoxyphenyl)ethanone?
2-amino-1-(2-fluoro-3,5,6-trimethoxyphenyl)ethanone has a molecular weight of 243.23 g/mol, XLogP of 0.99, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(2-fluoro-3,5,6-trimethoxyphenyl)ethanone is sourced from PubChem (CID 117359258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).