[(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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Related Compounds

[(1S)-1-(2-fluorophenyl)-2,2-dimethylcyclopropyl]-[4-(1H-1,2,4-triazol-5-yl)piperazin-1-yl]methanone
CID 126435289
4-[1-[(1S)-1-(2-fluorophenyl)-2,2-dimethylcyclopropanecarbonyl]piperidin-4-yl]-1H-pyrimidin-6-one
CID 136883249
[(3S,5S)-3,5-dimethylpiperazin-1-yl]-[1-(2-fluorophenyl)cyclopropyl]methanone
CID 124589951
(3-hydroxyazetidin-1-yl)-[(2S)-2-phenylspiro[2.4]heptan-2-yl]methanone
CID 126449981
1-(2-fluorophenyl)-2,2-dimethyl-N-(1-phenylpyrazol-3-yl)cyclopropane-1-carboxamide
CID 135315834
(1S)-1-(2-fluorophenyl)-N-[1-(methoxymethyl)cyclopentyl]-2,2-dimethylcyclopropane-1-carboxamide
CID 99929753
(1S)-N-[2-(4,5-dimethylimidazol-1-yl)ethyl]-1-(2-fluorophenyl)-2,2-dimethylcyclopropane-1-carboxamide
CID 126428940
[1-(2-fluorophenyl)cyclobutyl]-(4-methylpiperidin-1-yl)methanone
CID 110436577
[(3S,4S)-3,4-dihydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-9-yl]-[1-(2-fluorophenyl)cyclopropyl]methanone
CID 135090406
[1-(2-fluorophenyl)cyclopropyl]-(2-methylmorpholin-4-yl)methanone
CID 110631401
[(1S,3R)-1,3-dihydroxy-7-azaspiro[3.5]nonan-7-yl]-[1-(2-fluorophenyl)cyclopropyl]methanone
CID 72877100
[1-(2-fluorophenyl)cyclopropyl]-[4-(hydroxymethyl)piperidin-1-yl]methanone
CID 110473638

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).