2-amino-1-[2-(difluoromethyl)-4,5-dimethoxyphenyl]ethanone

C11H13F2NO3 — CID 117364277

IUPAC2-amino-1-[2-(difluoromethyl)-4,5-dimethoxyphenyl]ethanone
SMILESCOc1cc(C(=O)CN)c(C(F)F)cc1OC
InChIInChI=1S/C11H13F2NO3/c1-16-9-3-6(8(15)5-14)7(11(12)13)4-10(9)17-2/h3-4,11H,5,14H2,1-2H3
InChIKeyAWQFLIAZKRLGBA-UHFFFAOYSA-N
MW245.22 g/mol
LogP1.78
Rot. Bonds5

About 2-amino-1-[2-(difluoromethyl)-4,5-dimethoxyphenyl]ethanone

2-amino-1-[2-(difluoromethyl)-4,5-dimethoxyphenyl]ethanone (PubChem CID 117364277) has the molecular formula C11H13F2NO3 and a molecular weight of 245.22 g/mol. Its IUPAC name is 2-amino-1-[2-(difluoromethyl)-4,5-dimethoxyphenyl]ethanone.

Molecular Properties

Compound Name2-amino-1-[2-(difluoromethyl)-4,5-dimethoxyphenyl]ethanone
PubChem CID117364277
Molecular FormulaC11H13F2NO3
Molecular Weight245.22 g/mol
Exact Mass245.09
IUPAC Name2-amino-1-[2-(difluoromethyl)-4,5-dimethoxyphenyl]ethanone
SMILESCOc1cc(C(=O)CN)c(C(F)F)cc1OC
InChIInChI=1S/C11H13F2NO3/c1-16-9-3-6(8(15)5-14)7(11(12)13)4-10(9)17-2/h3-4,11H,5,14H2,1-2H3
InChIKeyAWQFLIAZKRLGBA-UHFFFAOYSA-N
XLogP1.78
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.22
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-1-[5-(difluoromethyl)-2,4-dimethoxyphenyl]propan-1-one
CID 117401274
1-[2-(1-fluoroethyl)-4,5-dimethoxyphenyl]-2-(methylamino)ethanone
CID 117391080
2-amino-1-(5-fluoro-2-methoxyphenyl)ethanone
CID 79002350
2-amino-1-(4,5-dimethoxy-2-nitrophenyl)ethanone;hydrochloride
CID 117068513
2-amino-1-(4-methoxy-2,3-dimethylphenyl)ethanone
CID 82281637
4-amino-4-[2-(difluoromethyl)-4,5-dimethoxyphenyl]butanoic acid
CID 117467139
2-amino-1-(4-bromo-5-fluoro-2-methoxyphenyl)ethanone
CID 84806885
2-amino-1-(5-chloro-2-fluoro-4-methoxyphenyl)ethanone
CID 84683219
[4-(difluoromethyl)-2,5-dimethoxyphenyl]methanamine
CID 84682512
(E)-3-[2-(difluoromethyl)-4,5-dimethoxyphenyl]prop-2-en-1-amine
CID 117359378
2-[6-(aminomethyl)-3-(difluoromethyl)-5-methoxy-2-pyridinyl]acetic acid
CID 133085224
6-chloro-3-(difluoromethyl)-5-methoxypyridine-2-carboxamide
CID 119005525

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[2-(difluoromethyl)-4,5-dimethoxyphenyl]ethanone?
The IUPAC name of 2-amino-1-[2-(difluoromethyl)-4,5-dimethoxyphenyl]ethanone (CID 117364277) is 2-amino-1-[2-(difluoromethyl)-4,5-dimethoxyphenyl]ethanone.
What is the SMILES notation for 2-amino-1-[2-(difluoromethyl)-4,5-dimethoxyphenyl]ethanone?
The canonical SMILES for 2-amino-1-[2-(difluoromethyl)-4,5-dimethoxyphenyl]ethanone is COc1cc(C(=O)CN)c(C(F)F)cc1OC.
What is the InChIKey of 2-amino-1-[2-(difluoromethyl)-4,5-dimethoxyphenyl]ethanone?
The InChIKey is AWQFLIAZKRLGBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F2NO3/c1-16-9-3-6(8(15)5-14)7(11(12)13)4-10(9)17-2/h3-4,11H,5,14H2,1-2H3.
What are the key properties of 2-amino-1-[2-(difluoromethyl)-4,5-dimethoxyphenyl]ethanone?
2-amino-1-[2-(difluoromethyl)-4,5-dimethoxyphenyl]ethanone has a molecular weight of 245.22 g/mol, XLogP of 1.78, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[2-(difluoromethyl)-4,5-dimethoxyphenyl]ethanone is sourced from PubChem (CID 117364277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).