(3-aminoazetidin-1-yl)-(2-fluorophenyl)methanone

C10H11FN2O — CID 63755092

IUPAC(3-aminoazetidin-1-yl)-(2-fluorophenyl)methanone
SMILESNC1CN(C(=O)c2ccccc2F)C1
InChIInChI=1S/C10H11FN2O/c11-9-4-2-1-3-8(9)10(14)13-5-7(12)6-13/h1-4,7H,5-6,12H2
InChIKeySZCHGFHSVWYGNA-UHFFFAOYSA-N
MW194.21 g/mol
LogP0.61
Rot. Bonds1

About (3-aminoazetidin-1-yl)-(2-fluorophenyl)methanone

(3-aminoazetidin-1-yl)-(2-fluorophenyl)methanone (PubChem CID 63755092) has the molecular formula C10H11FN2O and a molecular weight of 194.21 g/mol. Its IUPAC name is (3-aminoazetidin-1-yl)-(2-fluorophenyl)methanone.

Molecular Properties

Compound Name(3-aminoazetidin-1-yl)-(2-fluorophenyl)methanone
PubChem CID63755092
Molecular FormulaC10H11FN2O
Molecular Weight194.21 g/mol
Exact Mass194.09
IUPAC Name(3-aminoazetidin-1-yl)-(2-fluorophenyl)methanone
SMILESNC1CN(C(=O)c2ccccc2F)C1
InChIInChI=1S/C10H11FN2O/c11-9-4-2-1-3-8(9)10(14)13-5-7(12)6-13/h1-4,7H,5-6,12H2
InChIKeySZCHGFHSVWYGNA-UHFFFAOYSA-N
XLogP0.61
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.21
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-fluorobenzoyl)azetidine-3-carboxylate
CID 7100057
[(3aR,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-(2-fluorophenyl)methanone
CID 124514443
[3-(bromomethyl)pyrrolidin-1-yl]-(2-fluorophenyl)methanone
CID 80667822
1-(2-fluorobenzoyl)-4-methylpyrrolidine-3-carboxylic acid
CID 55228026
(3-amino-5-methylpiperidin-1-yl)-(2,3-difluorophenyl)methanone
CID 79993492
N-[2-(3-aminoazetidine-1-carbonyl)phenyl]acetamide
CID 121200746
(3S)-1-(2-fluorobenzoyl)pyrrolidine-3-carboxylic acid
CID 129368662
[4-(2-fluorobenzoyl)piperazin-1-yl]-phenylmethanone
CID 776715
(3-aminoazetidin-1-yl)-(2,4,5-trifluoro-3-hydroxyphenyl)methanone
CID 63755273
(2-fluorophenyl) 3-aminoazetidine-1-carboxylate
CID 83820757
4-(2-fluorobenzoyl)piperazine-1-carbohydrazide
CID 82304393
[(3aR,7aS)-5-amino-1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl]-(2,3-difluorophenyl)methanone
CID 62660368

Frequently Asked Questions

What is the IUPAC name of (3-aminoazetidin-1-yl)-(2-fluorophenyl)methanone?
The IUPAC name of (3-aminoazetidin-1-yl)-(2-fluorophenyl)methanone (CID 63755092) is (3-aminoazetidin-1-yl)-(2-fluorophenyl)methanone.
What is the SMILES notation for (3-aminoazetidin-1-yl)-(2-fluorophenyl)methanone?
The canonical SMILES for (3-aminoazetidin-1-yl)-(2-fluorophenyl)methanone is NC1CN(C(=O)c2ccccc2F)C1.
What is the InChIKey of (3-aminoazetidin-1-yl)-(2-fluorophenyl)methanone?
The InChIKey is SZCHGFHSVWYGNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FN2O/c11-9-4-2-1-3-8(9)10(14)13-5-7(12)6-13/h1-4,7H,5-6,12H2.
What are the key properties of (3-aminoazetidin-1-yl)-(2-fluorophenyl)methanone?
(3-aminoazetidin-1-yl)-(2-fluorophenyl)methanone has a molecular weight of 194.21 g/mol, XLogP of 0.61, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-aminoazetidin-1-yl)-(2-fluorophenyl)methanone is sourced from PubChem (CID 63755092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).