2-amino-1-(2-fluoro-5-propan-2-ylphenyl)ethanone

C11H14FNO — CID 59192858

IUPAC2-amino-1-(2-fluoro-5-propan-2-ylphenyl)ethanone
SMILESCC(C)c1ccc(F)c(C(=O)CN)c1
InChIInChI=1S/C11H14FNO/c1-7(2)8-3-4-10(12)9(5-8)11(14)6-13/h3-5,7H,6,13H2,1-2H3
InChIKeyRBPKQYBUSZZDOF-UHFFFAOYSA-N
MW195.24 g/mol
LogP2.09
Rot. Bonds3

About 2-amino-1-(2-fluoro-5-propan-2-ylphenyl)ethanone

2-amino-1-(2-fluoro-5-propan-2-ylphenyl)ethanone (PubChem CID 59192858) has the molecular formula C11H14FNO and a molecular weight of 195.24 g/mol. Its IUPAC name is 2-amino-1-(2-fluoro-5-propan-2-ylphenyl)ethanone.

Molecular Properties

Compound Name2-amino-1-(2-fluoro-5-propan-2-ylphenyl)ethanone
PubChem CID59192858
Molecular FormulaC11H14FNO
Molecular Weight195.24 g/mol
Exact Mass195.11
IUPAC Name2-amino-1-(2-fluoro-5-propan-2-ylphenyl)ethanone
SMILESCC(C)c1ccc(F)c(C(=O)CN)c1
InChIInChI=1S/C11H14FNO/c1-7(2)8-3-4-10(12)9(5-8)11(14)6-13/h3-5,7H,6,13H2,1-2H3
InChIKeyRBPKQYBUSZZDOF-UHFFFAOYSA-N
XLogP2.09
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.24
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-1-(2,3-difluoro-5-propan-2-ylphenyl)ethanone
CID 117303848
1-(2-fluoro-5-propan-2-ylphenyl)-2-phenylethanone
CID 83988494
(2-fluoro-5-propan-2-ylphenyl) carbamate
CID 175535945
2-amino-1-(3-fluoro-5-propan-2-ylphenyl)ethanone
CID 84773566
2-amino-1-[5-(difluoromethyl)-2,3-difluorophenyl]ethanone
CID 84686376
(4,4-difluoropiperidin-1-yl)-(2-fluoro-5-propan-2-ylphenyl)methanone
CID 58290377
2-amino-1-(2-fluoro-4-methylphenyl)ethanone
CID 59233227
1,2-difluoro-4-propan-2-ylbenzene;propane
CID 143774679
ethyl 2-(2-fluoro-5-propan-2-ylphenyl)-2-hydroxyacetate
CID 117353289
2-amino-1-(2-chloro-3-methoxy-5-propan-2-ylphenyl)ethanone
CID 117356480
4-amino-1-(5-bromo-2-fluorophenyl)-3-methylbutan-1-one
CID 116596644
2-amino-1-(2-fluoro-4-methyl-5-methylsulfonylphenyl)ethanone
CID 117364606

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(2-fluoro-5-propan-2-ylphenyl)ethanone?
The IUPAC name of 2-amino-1-(2-fluoro-5-propan-2-ylphenyl)ethanone (CID 59192858) is 2-amino-1-(2-fluoro-5-propan-2-ylphenyl)ethanone.
What is the SMILES notation for 2-amino-1-(2-fluoro-5-propan-2-ylphenyl)ethanone?
The canonical SMILES for 2-amino-1-(2-fluoro-5-propan-2-ylphenyl)ethanone is CC(C)c1ccc(F)c(C(=O)CN)c1.
What is the InChIKey of 2-amino-1-(2-fluoro-5-propan-2-ylphenyl)ethanone?
The InChIKey is RBPKQYBUSZZDOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FNO/c1-7(2)8-3-4-10(12)9(5-8)11(14)6-13/h3-5,7H,6,13H2,1-2H3.
What are the key properties of 2-amino-1-(2-fluoro-5-propan-2-ylphenyl)ethanone?
2-amino-1-(2-fluoro-5-propan-2-ylphenyl)ethanone has a molecular weight of 195.24 g/mol, XLogP of 2.09, 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-fluoro-5-propan-2-ylphenyl)ethanone is sourced from PubChem (CID 59192858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).