[(1S)-1-(2-fluorophenyl)-2,2-dimethylcyclopropyl]-(3-hydroxyazetidin-1-yl)methanone

C15H18FNO2 — CID 99943550

IUPAC[(1S)-1-(2-fluorophenyl)-2,2-dimethylcyclopropyl]-(3-hydroxyazetidin-1-yl)methanone
SMILESCC1(C)C[C@@]1(C(=O)N1CC(O)C1)c1ccccc1F
InChIInChI=1S/C15H18FNO2/c1-14(2)9-15(14,11-5-3-4-6-12(11)16)13(19)17-7-10(18)8-17/h3-6,10,18H,7-9H2,1-2H3/t15-/m0/s1
InChIKeyIUYSVAHPSCZNTL-HNNXBMFYSA-N
MW263.31 g/mol
LogP1.70
Rot. Bonds2

About [(1S)-1-(2-fluorophenyl)-2,2-dimethylcyclopropyl]-(3-hydroxyazetidin-1-yl)methanone

[(1S)-1-(2-fluorophenyl)-2,2-dimethylcyclopropyl]-(3-hydroxyazetidin-1-yl)methanone (PubChem CID 99943550) has the molecular formula C15H18FNO2 and a molecular weight of 263.31 g/mol. Its IUPAC name is [(1S)-1-(2-fluorophenyl)-2,2-dimethylcyclopropyl]-(3-hydroxyazetidin-1-yl)methanone.

Molecular Properties

Compound Name[(1S)-1-(2-fluorophenyl)-2,2-dimethylcyclopropyl]-(3-hydroxyazetidin-1-yl)methanone
PubChem CID99943550
Molecular FormulaC15H18FNO2
Molecular Weight263.31 g/mol
Exact Mass263.13
IUPAC Name[(1S)-1-(2-fluorophenyl)-2,2-dimethylcyclopropyl]-(3-hydroxyazetidin-1-yl)methanone
SMILESCC1(C)C[C@@]1(C(=O)N1CC(O)C1)c1ccccc1F
InChIInChI=1S/C15H18FNO2/c1-14(2)9-15(14,11-5-3-4-6-12(11)16)13(19)17-7-10(18)8-17/h3-6,10,18H,7-9H2,1-2H3/t15-/m0/s1
InChIKeyIUYSVAHPSCZNTL-HNNXBMFYSA-N
XLogP1.70
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.31
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [(1S)-1-(2-fluorophenyl)-2,2-dimethylcyclopropyl]-(3-hydroxyazetidin-1-yl)methanone?
The IUPAC name of [(1S)-1-(2-fluorophenyl)-2,2-dimethylcyclopropyl]-(3-hydroxyazetidin-1-yl)methanone (CID 99943550) is [(1S)-1-(2-fluorophenyl)-2,2-dimethylcyclopropyl]-(3-hydroxyazetidin-1-yl)methanone.
What is the SMILES notation for [(1S)-1-(2-fluorophenyl)-2,2-dimethylcyclopropyl]-(3-hydroxyazetidin-1-yl)methanone?
The canonical SMILES for [(1S)-1-(2-fluorophenyl)-2,2-dimethylcyclopropyl]-(3-hydroxyazetidin-1-yl)methanone is CC1(C)C[C@@]1(C(=O)N1CC(O)C1)c1ccccc1F.
What is the InChIKey of [(1S)-1-(2-fluorophenyl)-2,2-dimethylcyclopropyl]-(3-hydroxyazetidin-1-yl)methanone?
The InChIKey is IUYSVAHPSCZNTL-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H18FNO2/c1-14(2)9-15(14,11-5-3-4-6-12(11)16)13(19)17-7-10(18)8-17/h3-6,10,18H,7-9H2,1-2H3/t15-/m0/s1.
What are the key properties of [(1S)-1-(2-fluorophenyl)-2,2-dimethylcyclopropyl]-(3-hydroxyazetidin-1-yl)methanone?
[(1S)-1-(2-fluorophenyl)-2,2-dimethylcyclopropyl]-(3-hydroxyazetidin-1-yl)methanone has a molecular weight of 263.31 g/mol, XLogP of 1.70, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-1-(2-fluorophenyl)-2,2-dimethylcyclopropyl]-(3-hydroxyazetidin-1-yl)methanone is sourced from PubChem (CID 99943550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).