2-amino-2-cyclopropyl-1-(2,3-difluorophenyl)propan-1-one

C12H13F2NO — CID 116558403

IUPAC2-amino-2-cyclopropyl-1-(2,3-difluorophenyl)propan-1-one
SMILESCC(N)(C(=O)c1cccc(F)c1F)C1CC1
InChIInChI=1S/C12H13F2NO/c1-12(15,7-5-6-7)11(16)8-3-2-4-9(13)10(8)14/h2-4,7H,5-6,15H2,1H3
InChIKeyOSLTXKWOPSVFDK-UHFFFAOYSA-N
MW225.24 g/mol
LogP2.27
Rot. Bonds3

About 2-amino-2-cyclopropyl-1-(2,3-difluorophenyl)propan-1-one

2-amino-2-cyclopropyl-1-(2,3-difluorophenyl)propan-1-one (PubChem CID 116558403) has the molecular formula C12H13F2NO and a molecular weight of 225.24 g/mol. Its IUPAC name is 2-amino-2-cyclopropyl-1-(2,3-difluorophenyl)propan-1-one.

Molecular Properties

Compound Name2-amino-2-cyclopropyl-1-(2,3-difluorophenyl)propan-1-one
PubChem CID116558403
Molecular FormulaC12H13F2NO
Molecular Weight225.24 g/mol
Exact Mass225.10
IUPAC Name2-amino-2-cyclopropyl-1-(2,3-difluorophenyl)propan-1-one
SMILESCC(N)(C(=O)c1cccc(F)c1F)C1CC1
InChIInChI=1S/C12H13F2NO/c1-12(15,7-5-6-7)11(16)8-3-2-4-9(13)10(8)14/h2-4,7H,5-6,15H2,1H3
InChIKeyOSLTXKWOPSVFDK-UHFFFAOYSA-N
XLogP2.27
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.24
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-1-(3-bromo-2-fluorophenyl)-2-cyclopropylpropan-1-one
CID 106647121
2-amino-3-(2,3-difluorophenyl)-2-methyl-3-oxopropanoic acid
CID 68606169
N-cyclopropyl-2,3-difluorobenzamide
CID 62648987
[1-(2,3-difluorophenyl)-2-methyl-1-oxopropan-2-yl] acetate
CID 146010050
N-(1-tert-butylpiperidin-4-yl)-2,3-difluorobenzamide
CID 62649219
2,3-difluorobenzoyl bromide
CID 91168195
2,3-difluoro-N-(thian-4-yl)benzamide
CID 115605205
2-amino-2-cyclopropyl-N-(2,5-dimethylpyrrol-1-yl)propanamide
CID 79100666
2-amino-2-cyclopropyl-1-[4-(trifluoromethyl)phenyl]propan-1-one
CID 116558577
(2,3-difluorophenyl)-(2,2-dimethylcyclopentyl)methanone
CID 107186982
2,3-difluoro-N-(methylaminomethyl)benzamide
CID 140814501
N-cyclopropyl-N-ethyl-2,3-difluorobenzamide
CID 62649850

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-cyclopropyl-1-(2,3-difluorophenyl)propan-1-one?
The IUPAC name of 2-amino-2-cyclopropyl-1-(2,3-difluorophenyl)propan-1-one (CID 116558403) is 2-amino-2-cyclopropyl-1-(2,3-difluorophenyl)propan-1-one.
What is the SMILES notation for 2-amino-2-cyclopropyl-1-(2,3-difluorophenyl)propan-1-one?
The canonical SMILES for 2-amino-2-cyclopropyl-1-(2,3-difluorophenyl)propan-1-one is CC(N)(C(=O)c1cccc(F)c1F)C1CC1.
What is the InChIKey of 2-amino-2-cyclopropyl-1-(2,3-difluorophenyl)propan-1-one?
The InChIKey is OSLTXKWOPSVFDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F2NO/c1-12(15,7-5-6-7)11(16)8-3-2-4-9(13)10(8)14/h2-4,7H,5-6,15H2,1H3.
What are the key properties of 2-amino-2-cyclopropyl-1-(2,3-difluorophenyl)propan-1-one?
2-amino-2-cyclopropyl-1-(2,3-difluorophenyl)propan-1-one has a molecular weight of 225.24 g/mol, XLogP of 2.27, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-cyclopropyl-1-(2,3-difluorophenyl)propan-1-one is sourced from PubChem (CID 116558403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).