(5-amino-2-fluorophenyl)-(3-hydroxy-3-methylazetidin-1-yl)methanone

C11H13FN2O2 — CID 107210518

IUPAC(5-amino-2-fluorophenyl)-(3-hydroxy-3-methylazetidin-1-yl)methanone
SMILESCC1(O)CN(C(=O)c2cc(N)ccc2F)C1
InChIInChI=1S/C11H13FN2O2/c1-11(16)5-14(6-11)10(15)8-4-7(13)2-3-9(8)12/h2-4,16H,5-6,13H2,1H3
InChIKeyHNWCAJQRRBJZKR-UHFFFAOYSA-N
MW224.24 g/mol
LogP0.61
Rot. Bonds1

About (5-amino-2-fluorophenyl)-(3-hydroxy-3-methylazetidin-1-yl)methanone

(5-amino-2-fluorophenyl)-(3-hydroxy-3-methylazetidin-1-yl)methanone (PubChem CID 107210518) has the molecular formula C11H13FN2O2 and a molecular weight of 224.24 g/mol. Its IUPAC name is (5-amino-2-fluorophenyl)-(3-hydroxy-3-methylazetidin-1-yl)methanone.

Molecular Properties

Compound Name(5-amino-2-fluorophenyl)-(3-hydroxy-3-methylazetidin-1-yl)methanone
PubChem CID107210518
Molecular FormulaC11H13FN2O2
Molecular Weight224.24 g/mol
Exact Mass224.10
IUPAC Name(5-amino-2-fluorophenyl)-(3-hydroxy-3-methylazetidin-1-yl)methanone
SMILESCC1(O)CN(C(=O)c2cc(N)ccc2F)C1
InChIInChI=1S/C11H13FN2O2/c1-11(16)5-14(6-11)10(15)8-4-7(13)2-3-9(8)12/h2-4,16H,5-6,13H2,1H3
InChIKeyHNWCAJQRRBJZKR-UHFFFAOYSA-N
XLogP0.61
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.24
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

(5-amino-2-fluorophenyl)-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone
CID 103355036
(5-amino-2-fluorophenyl)-(3-hydroxy-3-propylazetidin-1-yl)methanone
CID 107210704
(5-amino-2-bromophenyl)-(3-hydroxy-3-methylazetidin-1-yl)methanone
CID 107210502
(4-amino-2-methylphenyl)-(3-hydroxy-3-methylazetidin-1-yl)methanone
CID 107210580
(2-amino-4,5-difluorophenyl)-(3-hydroxy-3-methylazetidin-1-yl)methanone
CID 107210575
(4-amino-2-fluorophenyl)-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone
CID 103354971
(5-amino-2-fluorophenyl)-(3,4-dimethylpyrrolidin-1-yl)methanone
CID 79188191
(5-amino-2-fluorophenyl)-(4,4-diethylpiperidin-1-yl)methanone
CID 63157430
(5-amino-2-fluorophenyl)-(3-azaspiro[5.5]undecan-3-yl)methanone
CID 62938056
(5-amino-2-fluorophenyl)-[4-(dimethylamino)piperidin-1-yl]methanone
CID 43585610
(5-amino-2-fluorophenyl)-(3-hydroxypyrrolidin-1-yl)methanone
CID 62917475
[4-(5-amino-2-fluorobenzoyl)piperazin-1-yl]-cyclopropylmethanone
CID 61107768

Frequently Asked Questions

What is the IUPAC name of (5-amino-2-fluorophenyl)-(3-hydroxy-3-methylazetidin-1-yl)methanone?
The IUPAC name of (5-amino-2-fluorophenyl)-(3-hydroxy-3-methylazetidin-1-yl)methanone (CID 107210518) is (5-amino-2-fluorophenyl)-(3-hydroxy-3-methylazetidin-1-yl)methanone.
What is the SMILES notation for (5-amino-2-fluorophenyl)-(3-hydroxy-3-methylazetidin-1-yl)methanone?
The canonical SMILES for (5-amino-2-fluorophenyl)-(3-hydroxy-3-methylazetidin-1-yl)methanone is CC1(O)CN(C(=O)c2cc(N)ccc2F)C1.
What is the InChIKey of (5-amino-2-fluorophenyl)-(3-hydroxy-3-methylazetidin-1-yl)methanone?
The InChIKey is HNWCAJQRRBJZKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FN2O2/c1-11(16)5-14(6-11)10(15)8-4-7(13)2-3-9(8)12/h2-4,16H,5-6,13H2,1H3.
What are the key properties of (5-amino-2-fluorophenyl)-(3-hydroxy-3-methylazetidin-1-yl)methanone?
(5-amino-2-fluorophenyl)-(3-hydroxy-3-methylazetidin-1-yl)methanone has a molecular weight of 224.24 g/mol, XLogP of 0.61, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-amino-2-fluorophenyl)-(3-hydroxy-3-methylazetidin-1-yl)methanone is sourced from PubChem (CID 107210518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).