2-amino-1-(2,3-difluoro-5-propan-2-ylphenyl)ethanone

C11H13F2NO — CID 117303848

IUPAC2-amino-1-(2,3-difluoro-5-propan-2-ylphenyl)ethanone
SMILESCC(C)c1cc(F)c(F)c(C(=O)CN)c1
InChIInChI=1S/C11H13F2NO/c1-6(2)7-3-8(10(15)5-14)11(13)9(12)4-7/h3-4,6H,5,14H2,1-2H3
InChIKeyONILUTLMXLIKNB-UHFFFAOYSA-N
MW213.23 g/mol
LogP2.23
Rot. Bonds3

About 2-amino-1-(2,3-difluoro-5-propan-2-ylphenyl)ethanone

2-amino-1-(2,3-difluoro-5-propan-2-ylphenyl)ethanone (PubChem CID 117303848) has the molecular formula C11H13F2NO and a molecular weight of 213.23 g/mol. Its IUPAC name is 2-amino-1-(2,3-difluoro-5-propan-2-ylphenyl)ethanone.

Molecular Properties

Compound Name2-amino-1-(2,3-difluoro-5-propan-2-ylphenyl)ethanone
PubChem CID117303848
Molecular FormulaC11H13F2NO
Molecular Weight213.23 g/mol
Exact Mass213.10
IUPAC Name2-amino-1-(2,3-difluoro-5-propan-2-ylphenyl)ethanone
SMILESCC(C)c1cc(F)c(F)c(C(=O)CN)c1
InChIInChI=1S/C11H13F2NO/c1-6(2)7-3-8(10(15)5-14)11(13)9(12)4-7/h3-4,6H,5,14H2,1-2H3
InChIKeyONILUTLMXLIKNB-UHFFFAOYSA-N
XLogP2.23
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.23
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-1-[5-(difluoromethyl)-2,3-difluorophenyl]ethanone
CID 84686376
2-amino-1-(2-fluoro-5-propan-2-ylphenyl)ethanone
CID 59192858
2-amino-1-(2,4,5-trifluoro-3-hydroxyphenyl)ethanone
CID 117115595
2-amino-1-(3-fluoro-5-propan-2-ylphenyl)ethanone
CID 84773566
2-amino-1-(3-chloro-2,4,5-trifluorophenyl)ethanone
CID 117115593
2-amino-1-(2-chloro-3-methoxy-5-propan-2-ylphenyl)ethanone
CID 117356480
3-amino-3-(2,3-difluoro-5-propan-2-ylphenyl)propanoic acid
CID 117359464
ethyl 2-(2,3-difluoro-5-propan-2-ylphenyl)-2-hydroxyacetate
CID 117398914
2,3-difluoro-5-(1-hydroxypropan-2-yl)benzoic acid
CID 117307716
3-(2,3-difluoro-5-propan-2-ylphenyl)butan-1-amine
CID 117327295
1-(2,3-difluoro-5-propan-2-ylphenyl)ethanamine
CID 117288734
3-fluoro-5-propan-2-yl-2-sulfamoylbenzoic acid
CID 150490702

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(2,3-difluoro-5-propan-2-ylphenyl)ethanone?
The IUPAC name of 2-amino-1-(2,3-difluoro-5-propan-2-ylphenyl)ethanone (CID 117303848) is 2-amino-1-(2,3-difluoro-5-propan-2-ylphenyl)ethanone.
What is the SMILES notation for 2-amino-1-(2,3-difluoro-5-propan-2-ylphenyl)ethanone?
The canonical SMILES for 2-amino-1-(2,3-difluoro-5-propan-2-ylphenyl)ethanone is CC(C)c1cc(F)c(F)c(C(=O)CN)c1.
What is the InChIKey of 2-amino-1-(2,3-difluoro-5-propan-2-ylphenyl)ethanone?
The InChIKey is ONILUTLMXLIKNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F2NO/c1-6(2)7-3-8(10(15)5-14)11(13)9(12)4-7/h3-4,6H,5,14H2,1-2H3.
What are the key properties of 2-amino-1-(2,3-difluoro-5-propan-2-ylphenyl)ethanone?
2-amino-1-(2,3-difluoro-5-propan-2-ylphenyl)ethanone has a molecular weight of 213.23 g/mol, XLogP of 2.23, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(2,3-difluoro-5-propan-2-ylphenyl)ethanone is sourced from PubChem (CID 117303848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).