(3,3-difluoroazetidin-1-yl)-(3-phenylmethoxyphenyl)methanone

C17H15F2NO2 — CID 155462347

IUPAC(3,3-difluoroazetidin-1-yl)-(3-phenylmethoxyphenyl)methanone
SMILESO=C(c1cccc(OCc2ccccc2)c1)N1CC(F)(F)C1
InChIInChI=1S/C17H15F2NO2/c18-17(19)11-20(12-17)16(21)14-7-4-8-15(9-14)22-10-13-5-2-1-3-6-13/h1-9H,10-12H2
InChIKeyRIXQPKCTESYKPL-UHFFFAOYSA-N
MW303.31 g/mol
LogP3.36
Rot. Bonds4

About (3,3-difluoroazetidin-1-yl)-(3-phenylmethoxyphenyl)methanone

(3,3-difluoroazetidin-1-yl)-(3-phenylmethoxyphenyl)methanone (PubChem CID 155462347) has the molecular formula C17H15F2NO2 and a molecular weight of 303.31 g/mol. Its IUPAC name is (3,3-difluoroazetidin-1-yl)-(3-phenylmethoxyphenyl)methanone.

Molecular Properties

Compound Name(3,3-difluoroazetidin-1-yl)-(3-phenylmethoxyphenyl)methanone
PubChem CID155462347
Molecular FormulaC17H15F2NO2
Molecular Weight303.31 g/mol
Exact Mass303.11
IUPAC Name(3,3-difluoroazetidin-1-yl)-(3-phenylmethoxyphenyl)methanone
SMILESO=C(c1cccc(OCc2ccccc2)c1)N1CC(F)(F)C1
InChIInChI=1S/C17H15F2NO2/c18-17(19)11-20(12-17)16(21)14-7-4-8-15(9-14)22-10-13-5-2-1-3-6-13/h1-9H,10-12H2
InChIKeyRIXQPKCTESYKPL-UHFFFAOYSA-N
XLogP3.36
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.31
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (3,3-difluoroazetidin-1-yl)-(3-phenylmethoxyphenyl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3,3-dimethylazetidin-1-yl)-(3-phenylmethoxyphenyl)methanone
CID 155462351
[4-(2-hydroxyethyl)piperazin-1-yl]-(3-phenylmethoxyphenyl)methanone
CID 71944477
[4-[3-(2-phenoxyethoxy)benzoyl]piperazin-1-yl]-[3-(2-phenoxyethoxy)phenyl]methanone
CID 4955546
1-[4-[4-(3-phenylmethoxybenzoyl)piperazin-1-yl]phenyl]ethanone
CID 8004468
[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-(3-phenylmethoxyphenyl)methanone
CID 17449026
(4-cyclobutyl-1,4-diazepan-1-yl)-(3-phenylmethoxyphenyl)methanone
CID 11175983
2,3-dihydroindol-1-yl-(3-phenylmethoxyphenyl)methanone
CID 8778658
[4-(2-ethoxyphenyl)piperazin-1-yl]-(3-phenylmethoxyphenyl)methanone
CID 9415526
(4-methoxyphenyl)-[1-(3-phenylmethoxybenzoyl)piperidin-4-yl]methanone
CID 25472791
[(2S,4S)-4-fluoro-2-(hydroxymethyl)pyrrolidin-1-yl]-(3-phenylmethoxyphenyl)methanone
CID 128988243
(E)-3-(3-phenylmethoxyphenyl)but-2-enoic acid
CID 68732642
1-[4-[3-[(3-methylphenyl)methoxy]benzoyl]piperazin-1-yl]ethanone
CID 34840464

Frequently Asked Questions

What is the IUPAC name of (3,3-difluoroazetidin-1-yl)-(3-phenylmethoxyphenyl)methanone?
The IUPAC name of (3,3-difluoroazetidin-1-yl)-(3-phenylmethoxyphenyl)methanone (CID 155462347) is (3,3-difluoroazetidin-1-yl)-(3-phenylmethoxyphenyl)methanone.
What is the SMILES notation for (3,3-difluoroazetidin-1-yl)-(3-phenylmethoxyphenyl)methanone?
The canonical SMILES for (3,3-difluoroazetidin-1-yl)-(3-phenylmethoxyphenyl)methanone is O=C(c1cccc(OCc2ccccc2)c1)N1CC(F)(F)C1.
What is the InChIKey of (3,3-difluoroazetidin-1-yl)-(3-phenylmethoxyphenyl)methanone?
The InChIKey is RIXQPKCTESYKPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F2NO2/c18-17(19)11-20(12-17)16(21)14-7-4-8-15(9-14)22-10-13-5-2-1-3-6-13/h1-9H,10-12H2.
What are the key properties of (3,3-difluoroazetidin-1-yl)-(3-phenylmethoxyphenyl)methanone?
(3,3-difluoroazetidin-1-yl)-(3-phenylmethoxyphenyl)methanone has a molecular weight of 303.31 g/mol, XLogP of 3.36, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,3-difluoroazetidin-1-yl)-(3-phenylmethoxyphenyl)methanone is sourced from PubChem (CID 155462347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).