(2-amino-4,5-difluorophenyl)-(3-hydroxy-3-methylazetidin-1-yl)methanone

C11H12F2N2O2 — CID 107210575

IUPAC(2-amino-4,5-difluorophenyl)-(3-hydroxy-3-methylazetidin-1-yl)methanone
SMILESCC1(O)CN(C(=O)c2cc(F)c(F)cc2N)C1
InChIInChI=1S/C11H12F2N2O2/c1-11(17)4-15(5-11)10(16)6-2-7(12)8(13)3-9(6)14/h2-3,17H,4-5,14H2,1H3
InChIKeyNDUNCTSFPUSKED-UHFFFAOYSA-N
MW242.22 g/mol
LogP0.75
Rot. Bonds1

About (2-amino-4,5-difluorophenyl)-(3-hydroxy-3-methylazetidin-1-yl)methanone

(2-amino-4,5-difluorophenyl)-(3-hydroxy-3-methylazetidin-1-yl)methanone (PubChem CID 107210575) has the molecular formula C11H12F2N2O2 and a molecular weight of 242.22 g/mol. Its IUPAC name is (2-amino-4,5-difluorophenyl)-(3-hydroxy-3-methylazetidin-1-yl)methanone.

Molecular Properties

Compound Name(2-amino-4,5-difluorophenyl)-(3-hydroxy-3-methylazetidin-1-yl)methanone
PubChem CID107210575
Molecular FormulaC11H12F2N2O2
Molecular Weight242.22 g/mol
Exact Mass242.09
IUPAC Name(2-amino-4,5-difluorophenyl)-(3-hydroxy-3-methylazetidin-1-yl)methanone
SMILESCC1(O)CN(C(=O)c2cc(F)c(F)cc2N)C1
InChIInChI=1S/C11H12F2N2O2/c1-11(17)4-15(5-11)10(16)6-2-7(12)8(13)3-9(6)14/h2-3,17H,4-5,14H2,1H3
InChIKeyNDUNCTSFPUSKED-UHFFFAOYSA-N
XLogP0.75
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.22
LogP ≤ 50.75
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-methylazetidin-1-yl)methanone
CID 107210518
(2-amino-4,5-difluorophenyl)-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]methanone
CID 114776082
(4-amino-2-methylphenyl)-(3-hydroxy-3-methylazetidin-1-yl)methanone
CID 107210580
(2-amino-4,5-difluorophenyl)-(4-tert-butylpiperidin-1-yl)methanone
CID 62091602
(3-amino-2-chlorophenyl)-(3-hydroxy-3-methylazetidin-1-yl)methanone
CID 107210554
(5-amino-2-bromophenyl)-(3-hydroxy-3-methylazetidin-1-yl)methanone
CID 107210502
2-amino-4,5-difluorobenzamide
CID 16640510
(5-amino-2-fluorophenyl)-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone
CID 103355036
(4-amino-2-fluorophenyl)-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone
CID 103354971
(2-amino-4,5-difluorophenyl)-(4-propylpiperidin-1-yl)methanone
CID 62199600
4,5-difluoro-2-(4-hydroxy-4-methylpiperidine-1-carbonyl)benzoic acid
CID 81095842
(2-amino-4,5-difluorophenyl)-[3-(diethylamino)pyrrolidin-1-yl]methanone
CID 63168602

Frequently Asked Questions

What is the IUPAC name of (2-amino-4,5-difluorophenyl)-(3-hydroxy-3-methylazetidin-1-yl)methanone?
The IUPAC name of (2-amino-4,5-difluorophenyl)-(3-hydroxy-3-methylazetidin-1-yl)methanone (CID 107210575) is (2-amino-4,5-difluorophenyl)-(3-hydroxy-3-methylazetidin-1-yl)methanone.
What is the SMILES notation for (2-amino-4,5-difluorophenyl)-(3-hydroxy-3-methylazetidin-1-yl)methanone?
The canonical SMILES for (2-amino-4,5-difluorophenyl)-(3-hydroxy-3-methylazetidin-1-yl)methanone is CC1(O)CN(C(=O)c2cc(F)c(F)cc2N)C1.
What is the InChIKey of (2-amino-4,5-difluorophenyl)-(3-hydroxy-3-methylazetidin-1-yl)methanone?
The InChIKey is NDUNCTSFPUSKED-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F2N2O2/c1-11(17)4-15(5-11)10(16)6-2-7(12)8(13)3-9(6)14/h2-3,17H,4-5,14H2,1H3.
What are the key properties of (2-amino-4,5-difluorophenyl)-(3-hydroxy-3-methylazetidin-1-yl)methanone?
(2-amino-4,5-difluorophenyl)-(3-hydroxy-3-methylazetidin-1-yl)methanone has a molecular weight of 242.22 g/mol, XLogP of 0.75, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-4,5-difluorophenyl)-(3-hydroxy-3-methylazetidin-1-yl)methanone is sourced from PubChem (CID 107210575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).