(4-amino-2-methoxyphenyl)-(3,3-difluoroazetidin-1-yl)methanone

C11H12F2N2O2 — CID 172647128

IUPAC(4-amino-2-methoxyphenyl)-(3,3-difluoroazetidin-1-yl)methanone
SMILESCOc1cc(N)ccc1C(=O)N1CC(F)(F)C1
InChIInChI=1S/C11H12F2N2O2/c1-17-9-4-7(14)2-3-8(9)10(16)15-5-11(12,13)6-15/h2-4H,5-6,14H2,1H3
InChIKeyIGHCHHFJZGFROH-UHFFFAOYSA-N
MW242.22 g/mol
LogP1.37
Rot. Bonds2

About (4-amino-2-methoxyphenyl)-(3,3-difluoroazetidin-1-yl)methanone

(4-amino-2-methoxyphenyl)-(3,3-difluoroazetidin-1-yl)methanone (PubChem CID 172647128) has the molecular formula C11H12F2N2O2 and a molecular weight of 242.22 g/mol. Its IUPAC name is (4-amino-2-methoxyphenyl)-(3,3-difluoroazetidin-1-yl)methanone.

Molecular Properties

Compound Name(4-amino-2-methoxyphenyl)-(3,3-difluoroazetidin-1-yl)methanone
PubChem CID172647128
Molecular FormulaC11H12F2N2O2
Molecular Weight242.22 g/mol
Exact Mass242.09
IUPAC Name(4-amino-2-methoxyphenyl)-(3,3-difluoroazetidin-1-yl)methanone
SMILESCOc1cc(N)ccc1C(=O)N1CC(F)(F)C1
InChIInChI=1S/C11H12F2N2O2/c1-17-9-4-7(14)2-3-8(9)10(16)15-5-11(12,13)6-15/h2-4H,5-6,14H2,1H3
InChIKeyIGHCHHFJZGFROH-UHFFFAOYSA-N
XLogP1.37
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.22
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(4-amino-2-methoxyphenyl)-(3-cyclopropyl-3-hydroxyazetidin-1-yl)methanone
CID 107210407
3-[4-(4-amino-2-methoxybenzoyl)piperazin-1-yl]propanenitrile
CID 107207970
methyl 4-(4-amino-2-methoxybenzoyl)morpholine-2-carboxylate
CID 115533203
(4-amino-2-methoxyphenyl)-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methanone
CID 102931441
(4-amino-2-bromophenyl)-(3,3-difluoropyrrolidin-1-yl)methanone
CID 155490138
1-(2,4-dimethoxybenzoyl)-3-fluoropyrrolidine-3-carboxylic acid
CID 119259319
(4-amino-2-methylphenyl)-(3-hydroxy-3-methylazetidin-1-yl)methanone
CID 107210580
(5-amino-2-methoxyphenyl)-(8-azaspiro[4.5]decan-8-yl)methanone
CID 63156948
(3,3-difluoroazetidin-1-yl)-(2-methoxy-3-pyridinyl)methanone
CID 122269321
3-(4-amino-2-methoxyphenyl)-3-oxopropanoic acid
CID 146619681
(5-amino-2-fluorophenyl)-(3-hydroxy-3-methylazetidin-1-yl)methanone
CID 107210518
(2,4-diaminophenyl)-(2,2,6,6-tetramethylmorpholin-4-yl)methanone
CID 102742669

Frequently Asked Questions

What is the IUPAC name of (4-amino-2-methoxyphenyl)-(3,3-difluoroazetidin-1-yl)methanone?
The IUPAC name of (4-amino-2-methoxyphenyl)-(3,3-difluoroazetidin-1-yl)methanone (CID 172647128) is (4-amino-2-methoxyphenyl)-(3,3-difluoroazetidin-1-yl)methanone.
What is the SMILES notation for (4-amino-2-methoxyphenyl)-(3,3-difluoroazetidin-1-yl)methanone?
The canonical SMILES for (4-amino-2-methoxyphenyl)-(3,3-difluoroazetidin-1-yl)methanone is COc1cc(N)ccc1C(=O)N1CC(F)(F)C1.
What is the InChIKey of (4-amino-2-methoxyphenyl)-(3,3-difluoroazetidin-1-yl)methanone?
The InChIKey is IGHCHHFJZGFROH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F2N2O2/c1-17-9-4-7(14)2-3-8(9)10(16)15-5-11(12,13)6-15/h2-4H,5-6,14H2,1H3.
What are the key properties of (4-amino-2-methoxyphenyl)-(3,3-difluoroazetidin-1-yl)methanone?
(4-amino-2-methoxyphenyl)-(3,3-difluoroazetidin-1-yl)methanone has a molecular weight of 242.22 g/mol, XLogP of 1.37, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-2-methoxyphenyl)-(3,3-difluoroazetidin-1-yl)methanone is sourced from PubChem (CID 172647128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).