2-amino-1-(3-fluoro-5-propan-2-ylphenyl)ethanone

C11H14FNO — CID 84773566

IUPAC2-amino-1-(3-fluoro-5-propan-2-ylphenyl)ethanone
SMILESCC(C)c1cc(F)cc(C(=O)CN)c1
InChIInChI=1S/C11H14FNO/c1-7(2)8-3-9(11(14)6-13)5-10(12)4-8/h3-5,7H,6,13H2,1-2H3
InChIKeyLXCQVJNSEDHFNO-UHFFFAOYSA-N
MW195.24 g/mol
LogP2.09
Rot. Bonds3

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

2-amino-1-(3-fluoro-5-propan-2-ylphenyl)ethanone (PubChem CID 84773566) has the molecular formula C11H14FNO and a molecular weight of 195.24 g/mol. Its IUPAC name is 2-amino-1-(3-fluoro-5-propan-2-ylphenyl)ethanone.

Molecular Properties

Compound Name2-amino-1-(3-fluoro-5-propan-2-ylphenyl)ethanone
PubChem CID84773566
Molecular FormulaC11H14FNO
Molecular Weight195.24 g/mol
Exact Mass195.11
IUPAC Name2-amino-1-(3-fluoro-5-propan-2-ylphenyl)ethanone
SMILESCC(C)c1cc(F)cc(C(=O)CN)c1
InChIInChI=1S/C11H14FNO/c1-7(2)8-3-9(11(14)6-13)5-10(12)4-8/h3-5,7H,6,13H2,1-2H3
InChIKeyLXCQVJNSEDHFNO-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

methyl 3-fluoro-5-propan-2-ylbenzoate
CID 103186417
2-amino-1-(2,3-difluoro-5-propan-2-ylphenyl)ethanone
CID 117303848
2-amino-1-(2-fluoro-5-propan-2-ylphenyl)ethanone
CID 59192858
3-amino-3-(3-fluoro-5-propan-2-ylphenyl)propanoic acid
CID 84790187
1-(difluoromethyl)-3-fluoro-5-propan-2-ylbenzene
CID 118404669
3-(1,2-diaminoethyl)-5-fluorobenzoic acid
CID 77130837
1-(3-butan-2-yl-5-fluorophenyl)ethanone
CID 143473995
(3-fluoro-5-propan-2-ylphenyl)methanol
CID 59192640
N-(3-fluoro-5-propan-2-ylphenyl)acetamide
CID 139423265
2-bromo-1-(3-bromo-5-propan-2-ylphenyl)ethanone
CID 137347192
3-amino-3-(3-fluoro-5-propan-2-ylphenyl)propan-1-ol
CID 84781818
1-(3-fluoro-5-propan-2-ylphenyl)-3-methylbutan-2-ol
CID 130224243

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(3-fluoro-5-propan-2-ylphenyl)ethanone?
The IUPAC name of 2-amino-1-(3-fluoro-5-propan-2-ylphenyl)ethanone (CID 84773566) is 2-amino-1-(3-fluoro-5-propan-2-ylphenyl)ethanone.
What is the SMILES notation for 2-amino-1-(3-fluoro-5-propan-2-ylphenyl)ethanone?
The canonical SMILES for 2-amino-1-(3-fluoro-5-propan-2-ylphenyl)ethanone is CC(C)c1cc(F)cc(C(=O)CN)c1.
What is the InChIKey of 2-amino-1-(3-fluoro-5-propan-2-ylphenyl)ethanone?
The InChIKey is LXCQVJNSEDHFNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FNO/c1-7(2)8-3-9(11(14)6-13)5-10(12)4-8/h3-5,7H,6,13H2,1-2H3.
What are the key properties of 2-amino-1-(3-fluoro-5-propan-2-ylphenyl)ethanone?
2-amino-1-(3-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-(3-fluoro-5-propan-2-ylphenyl)ethanone is sourced from PubChem (CID 84773566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).