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

C7H11F2NO — CID 118457480

IUPAC1-[(1R,2S)-1-amino-2-(2,2-difluoroethyl)cyclopropyl]ethanone
SMILESCC(=O)[C@@]1(N)C[C@H]1CC(F)F
InChIInChI=1S/C7H11F2NO/c1-4(11)7(10)3-5(7)2-6(8)9/h5-6H,2-3,10H2,1H3/t5-,7+/m1/s1
InChIKeyCQGZLAUBTPIQAB-VDTYLAMSSA-N
MW163.17 g/mol
LogP0.95
Rot. Bonds3

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

1-[(1R,2S)-1-amino-2-(2,2-difluoroethyl)cyclopropyl]ethanone (PubChem CID 118457480) has the molecular formula C7H11F2NO and a molecular weight of 163.17 g/mol. Its IUPAC name is 1-[(1R,2S)-1-amino-2-(2,2-difluoroethyl)cyclopropyl]ethanone.

Molecular Properties

Compound Name1-[(1R,2S)-1-amino-2-(2,2-difluoroethyl)cyclopropyl]ethanone
PubChem CID118457480
Molecular FormulaC7H11F2NO
Molecular Weight163.17 g/mol
Exact Mass163.08
IUPAC Name1-[(1R,2S)-1-amino-2-(2,2-difluoroethyl)cyclopropyl]ethanone
SMILESCC(=O)[C@@]1(N)C[C@H]1CC(F)F
InChIInChI=1S/C7H11F2NO/c1-4(11)7(10)3-5(7)2-6(8)9/h5-6H,2-3,10H2,1H3/t5-,7+/m1/s1
InChIKeyCQGZLAUBTPIQAB-VDTYLAMSSA-N
XLogP0.95
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.17
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(1R,2S)-1-amino-2-(2,2-difluoroethyl)cyclopropyl]ethanone?
The IUPAC name of 1-[(1R,2S)-1-amino-2-(2,2-difluoroethyl)cyclopropyl]ethanone (CID 118457480) is 1-[(1R,2S)-1-amino-2-(2,2-difluoroethyl)cyclopropyl]ethanone.
What is the SMILES notation for 1-[(1R,2S)-1-amino-2-(2,2-difluoroethyl)cyclopropyl]ethanone?
The canonical SMILES for 1-[(1R,2S)-1-amino-2-(2,2-difluoroethyl)cyclopropyl]ethanone is CC(=O)[C@@]1(N)C[C@H]1CC(F)F.
What is the InChIKey of 1-[(1R,2S)-1-amino-2-(2,2-difluoroethyl)cyclopropyl]ethanone?
The InChIKey is CQGZLAUBTPIQAB-VDTYLAMSSA-N. The full InChI is InChI=1S/C7H11F2NO/c1-4(11)7(10)3-5(7)2-6(8)9/h5-6H,2-3,10H2,1H3/t5-,7+/m1/s1.
What are the key properties of 1-[(1R,2S)-1-amino-2-(2,2-difluoroethyl)cyclopropyl]ethanone?
1-[(1R,2S)-1-amino-2-(2,2-difluoroethyl)cyclopropyl]ethanone has a molecular weight of 163.17 g/mol, XLogP of 0.95, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R,2S)-1-amino-2-(2,2-difluoroethyl)cyclopropyl]ethanone is sourced from PubChem (CID 118457480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).