2-amino-2-cyclopropyl-1-(2,5-difluorophenyl)ethanone

C11H11F2NO — CID 130986103

IUPAC2-amino-2-cyclopropyl-1-(2,5-difluorophenyl)ethanone
SMILESNC(C(=O)c1cc(F)ccc1F)C1CC1
InChIInChI=1S/C11H11F2NO/c12-7-3-4-9(13)8(5-7)11(15)10(14)6-1-2-6/h3-6,10H,1-2,14H2
InChIKeyBMGRDHMAMRRADN-UHFFFAOYSA-N
MW211.21 g/mol
LogP1.88
Rot. Bonds3

About 2-amino-2-cyclopropyl-1-(2,5-difluorophenyl)ethanone

2-amino-2-cyclopropyl-1-(2,5-difluorophenyl)ethanone (PubChem CID 130986103) has the molecular formula C11H11F2NO and a molecular weight of 211.21 g/mol. Its IUPAC name is 2-amino-2-cyclopropyl-1-(2,5-difluorophenyl)ethanone.

Molecular Properties

Compound Name2-amino-2-cyclopropyl-1-(2,5-difluorophenyl)ethanone
PubChem CID130986103
Molecular FormulaC11H11F2NO
Molecular Weight211.21 g/mol
Exact Mass211.08
IUPAC Name2-amino-2-cyclopropyl-1-(2,5-difluorophenyl)ethanone
SMILESNC(C(=O)c1cc(F)ccc1F)C1CC1
InChIInChI=1S/C11H11F2NO/c12-7-3-4-9(13)8(5-7)11(15)10(14)6-1-2-6/h3-6,10H,1-2,14H2
InChIKeyBMGRDHMAMRRADN-UHFFFAOYSA-N
XLogP1.88
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.21
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(R)-amino(cyclopropyl)methyl]-5-fluorobenzoic acid
CID 131869097
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2-amino-1-(2,5-difluorophenyl)pent-4-en-1-one
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1-(2,5-difluorophenyl)-2-hydroxy-3,3-dimethylbutan-1-one
CID 103456132
2-amino-1-(2,5-difluorophenyl)-4-methylsulfonylbutan-1-one
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(2,5-difluorophenyl)-(4-methylcyclohexyl)methanone
CID 55120292
(1S,2R)-2-amino-1-cyclopropyl-2-(2,4-difluorophenyl)ethanol
CID 171160265
(2,5-difluorophenyl)-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone
CID 112627195
2,5-difluoro-N-(1-piperidin-4-ylethyl)benzamide
CID 43523182
1-(5-bromo-2-fluorophenyl)-2-cyclopropyl-2-methoxyethanone
CID 116708933
2-(4-aminopiperidin-1-yl)-1-(2,5-difluorophenyl)ethanone
CID 62029769
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CID 130136879

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-cyclopropyl-1-(2,5-difluorophenyl)ethanone?
The IUPAC name of 2-amino-2-cyclopropyl-1-(2,5-difluorophenyl)ethanone (CID 130986103) is 2-amino-2-cyclopropyl-1-(2,5-difluorophenyl)ethanone.
What is the SMILES notation for 2-amino-2-cyclopropyl-1-(2,5-difluorophenyl)ethanone?
The canonical SMILES for 2-amino-2-cyclopropyl-1-(2,5-difluorophenyl)ethanone is NC(C(=O)c1cc(F)ccc1F)C1CC1.
What is the InChIKey of 2-amino-2-cyclopropyl-1-(2,5-difluorophenyl)ethanone?
The InChIKey is BMGRDHMAMRRADN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F2NO/c12-7-3-4-9(13)8(5-7)11(15)10(14)6-1-2-6/h3-6,10H,1-2,14H2.
What are the key properties of 2-amino-2-cyclopropyl-1-(2,5-difluorophenyl)ethanone?
2-amino-2-cyclopropyl-1-(2,5-difluorophenyl)ethanone has a molecular weight of 211.21 g/mol, XLogP of 1.88, 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-(2,5-difluorophenyl)ethanone is sourced from PubChem (CID 130986103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).