1-[(1R,2R)-1-amino-2-(difluoromethyl)cyclopropyl]ethanone

C6H9F2NO — CID 89174595

IUPAC1-[(1R,2R)-1-amino-2-(difluoromethyl)cyclopropyl]ethanone
SMILESCC(=O)[C@@]1(N)C[C@H]1C(F)F
InChIInChI=1S/C6H9F2NO/c1-3(10)6(9)2-4(6)5(7)8/h4-5H,2,9H2,1H3/t4-,6-/m0/s1
InChIKeyIPNVEBZKLGOTKE-NJGYIYPDSA-N
MW149.14 g/mol
LogP0.56
Rot. Bonds2

About 1-[(1R,2R)-1-amino-2-(difluoromethyl)cyclopropyl]ethanone

1-[(1R,2R)-1-amino-2-(difluoromethyl)cyclopropyl]ethanone (PubChem CID 89174595) has the molecular formula C6H9F2NO and a molecular weight of 149.14 g/mol. Its IUPAC name is 1-[(1R,2R)-1-amino-2-(difluoromethyl)cyclopropyl]ethanone.

Molecular Properties

Compound Name1-[(1R,2R)-1-amino-2-(difluoromethyl)cyclopropyl]ethanone
PubChem CID89174595
Molecular FormulaC6H9F2NO
Molecular Weight149.14 g/mol
Exact Mass149.07
IUPAC Name1-[(1R,2R)-1-amino-2-(difluoromethyl)cyclopropyl]ethanone
SMILESCC(=O)[C@@]1(N)C[C@H]1C(F)F
InChIInChI=1S/C6H9F2NO/c1-3(10)6(9)2-4(6)5(7)8/h4-5H,2,9H2,1H3/t4-,6-/m0/s1
InChIKeyIPNVEBZKLGOTKE-NJGYIYPDSA-N
XLogP0.56
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.14
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(1R,2R)-1-amino-2-(difluoromethyl)cyclopropyl]ethanone?
The IUPAC name of 1-[(1R,2R)-1-amino-2-(difluoromethyl)cyclopropyl]ethanone (CID 89174595) is 1-[(1R,2R)-1-amino-2-(difluoromethyl)cyclopropyl]ethanone.
What is the SMILES notation for 1-[(1R,2R)-1-amino-2-(difluoromethyl)cyclopropyl]ethanone?
The canonical SMILES for 1-[(1R,2R)-1-amino-2-(difluoromethyl)cyclopropyl]ethanone is CC(=O)[C@@]1(N)C[C@H]1C(F)F.
What is the InChIKey of 1-[(1R,2R)-1-amino-2-(difluoromethyl)cyclopropyl]ethanone?
The InChIKey is IPNVEBZKLGOTKE-NJGYIYPDSA-N. The full InChI is InChI=1S/C6H9F2NO/c1-3(10)6(9)2-4(6)5(7)8/h4-5H,2,9H2,1H3/t4-,6-/m0/s1.
What are the key properties of 1-[(1R,2R)-1-amino-2-(difluoromethyl)cyclopropyl]ethanone?
1-[(1R,2R)-1-amino-2-(difluoromethyl)cyclopropyl]ethanone has a molecular weight of 149.14 g/mol, XLogP of 0.56, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R,2R)-1-amino-2-(difluoromethyl)cyclopropyl]ethanone is sourced from PubChem (CID 89174595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).