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

C8H14FNO — CID 167195753

IUPAC1-[(1R,2S)-1-amino-2-(2-fluoropropyl)cyclopropyl]ethanone
SMILESCC(=O)[C@@]1(N)C[C@H]1CC(C)F
InChIInChI=1S/C8H14FNO/c1-5(9)3-7-4-8(7,10)6(2)11/h5,7H,3-4,10H2,1-2H3/t5?,7-,8+/m1/s1
InChIKeyLEZXNABJPXPRSI-ZGLQITKXSA-N
MW159.20 g/mol
LogP1.04
Rot. Bonds3

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

1-[(1R,2S)-1-amino-2-(2-fluoropropyl)cyclopropyl]ethanone (PubChem CID 167195753) has the molecular formula C8H14FNO and a molecular weight of 159.20 g/mol. Its IUPAC name is 1-[(1R,2S)-1-amino-2-(2-fluoropropyl)cyclopropyl]ethanone.

Molecular Properties

Compound Name1-[(1R,2S)-1-amino-2-(2-fluoropropyl)cyclopropyl]ethanone
PubChem CID167195753
Molecular FormulaC8H14FNO
Molecular Weight159.20 g/mol
Exact Mass159.11
IUPAC Name1-[(1R,2S)-1-amino-2-(2-fluoropropyl)cyclopropyl]ethanone
SMILESCC(=O)[C@@]1(N)C[C@H]1CC(C)F
InChIInChI=1S/C8H14FNO/c1-5(9)3-7-4-8(7,10)6(2)11/h5,7H,3-4,10H2,1-2H3/t5?,7-,8+/m1/s1
InChIKeyLEZXNABJPXPRSI-ZGLQITKXSA-N
XLogP1.04
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.20
LogP ≤ 51.04
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-fluoropropyl)cyclopropyl]ethanone?
The IUPAC name of 1-[(1R,2S)-1-amino-2-(2-fluoropropyl)cyclopropyl]ethanone (CID 167195753) is 1-[(1R,2S)-1-amino-2-(2-fluoropropyl)cyclopropyl]ethanone.
What is the SMILES notation for 1-[(1R,2S)-1-amino-2-(2-fluoropropyl)cyclopropyl]ethanone?
The canonical SMILES for 1-[(1R,2S)-1-amino-2-(2-fluoropropyl)cyclopropyl]ethanone is CC(=O)[C@@]1(N)C[C@H]1CC(C)F.
What is the InChIKey of 1-[(1R,2S)-1-amino-2-(2-fluoropropyl)cyclopropyl]ethanone?
The InChIKey is LEZXNABJPXPRSI-ZGLQITKXSA-N. The full InChI is InChI=1S/C8H14FNO/c1-5(9)3-7-4-8(7,10)6(2)11/h5,7H,3-4,10H2,1-2H3/t5?,7-,8+/m1/s1.
What are the key properties of 1-[(1R,2S)-1-amino-2-(2-fluoropropyl)cyclopropyl]ethanone?
1-[(1R,2S)-1-amino-2-(2-fluoropropyl)cyclopropyl]ethanone has a molecular weight of 159.20 g/mol, XLogP of 1.04, 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-fluoropropyl)cyclopropyl]ethanone is sourced from PubChem (CID 167195753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).