(3-fluoroazetidin-1-yl)-[4-hydroxy-3,5-di(propan-2-yl)phenyl]methanone

C16H22FNO2 — CID 118195567

IUPAC(3-fluoroazetidin-1-yl)-[4-hydroxy-3,5-di(propan-2-yl)phenyl]methanone
SMILESCC(C)c1cc(C(=O)N2CC(F)C2)cc(C(C)C)c1O
InChIInChI=1S/C16H22FNO2/c1-9(2)13-5-11(6-14(10(3)4)15(13)19)16(20)18-7-12(17)8-18/h5-6,9-10,12,19H,7-8H2,1-4H3
InChIKeyAGLDXFXZJFGKRL-UHFFFAOYSA-N
MW279.36 g/mol
LogP3.43
Rot. Bonds3

About (3-fluoroazetidin-1-yl)-[4-hydroxy-3,5-di(propan-2-yl)phenyl]methanone

(3-fluoroazetidin-1-yl)-[4-hydroxy-3,5-di(propan-2-yl)phenyl]methanone (PubChem CID 118195567) has the molecular formula C16H22FNO2 and a molecular weight of 279.36 g/mol. Its IUPAC name is (3-fluoroazetidin-1-yl)-[4-hydroxy-3,5-di(propan-2-yl)phenyl]methanone.

Molecular Properties

Compound Name(3-fluoroazetidin-1-yl)-[4-hydroxy-3,5-di(propan-2-yl)phenyl]methanone
PubChem CID118195567
Molecular FormulaC16H22FNO2
Molecular Weight279.36 g/mol
Exact Mass279.16
IUPAC Name(3-fluoroazetidin-1-yl)-[4-hydroxy-3,5-di(propan-2-yl)phenyl]methanone
SMILESCC(C)c1cc(C(=O)N2CC(F)C2)cc(C(C)C)c1O
InChIInChI=1S/C16H22FNO2/c1-9(2)13-5-11(6-14(10(3)4)15(13)19)16(20)18-7-12(17)8-18/h5-6,9-10,12,19H,7-8H2,1-4H3
InChIKeyAGLDXFXZJFGKRL-UHFFFAOYSA-N
XLogP3.43
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.36
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (3-fluoroazetidin-1-yl)-[4-hydroxy-3,5-di(propan-2-yl)phenyl]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

2-Tert-butyl-4-(1,3-dihydro-2H-isoindol-2-ylcarbonyl)phenol
CID 11955465
US9676786, example 6
CID 118195533
[4-hydroxy-3,5-di(propan-2-yl)phenyl]-[(2R)-2-methylmorpholin-4-yl]methanone
CID 118195560
[4-Hydroxy-3,5-di(propan-2-yl)phenyl]-(2-oxa-6-azaspiro[3.3]heptan-6-yl)methanone
CID 118195581
1-(Azetidin-1-yl)-3-(3,5-ditert-butyl-4-hydroxyphenyl)propan-1-one
CID 9207941
N,3,5-tritert-butyl-4-hydroxybenzamide
CID 1203452
1-{3-[(Diethylamino)methyl]-4-hydroxyphenyl}ethan-1-one hydrochloride
CID 9551996
[3-(1,1-Dimethylethyl)-4-hydroxyphenyl]-4-morpholinylmethanone
CID 46861554
2-Allyl-4-(1-piperidinylcarbonyl)phenol
CID 889929
1-[4-(3,5-Ditert-butyl-4-hydroxybenzoyl)piperazin-1-yl]-6,6-bis(4-fluorophenyl)hexan-1-one
CID 10438617
[4-[6,6-Bis(4-fluorophenyl)hexyl]piperazin-1-yl]-(3,5-ditert-butyl-4-hydroxyphenyl)methanone
CID 10483558
1,3-Dihydroisoindol-2-yl-(4-hydroxy-3-propan-2-ylphenyl)methanone
CID 11955466

Frequently Asked Questions

What is the IUPAC name of (3-fluoroazetidin-1-yl)-[4-hydroxy-3,5-di(propan-2-yl)phenyl]methanone?
The IUPAC name of (3-fluoroazetidin-1-yl)-[4-hydroxy-3,5-di(propan-2-yl)phenyl]methanone (CID 118195567) is (3-fluoroazetidin-1-yl)-[4-hydroxy-3,5-di(propan-2-yl)phenyl]methanone.
What is the SMILES notation for (3-fluoroazetidin-1-yl)-[4-hydroxy-3,5-di(propan-2-yl)phenyl]methanone?
The canonical SMILES for (3-fluoroazetidin-1-yl)-[4-hydroxy-3,5-di(propan-2-yl)phenyl]methanone is CC(C)c1cc(C(=O)N2CC(F)C2)cc(C(C)C)c1O.
What is the InChIKey of (3-fluoroazetidin-1-yl)-[4-hydroxy-3,5-di(propan-2-yl)phenyl]methanone?
The InChIKey is AGLDXFXZJFGKRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FNO2/c1-9(2)13-5-11(6-14(10(3)4)15(13)19)16(20)18-7-12(17)8-18/h5-6,9-10,12,19H,7-8H2,1-4H3.
What are the key properties of (3-fluoroazetidin-1-yl)-[4-hydroxy-3,5-di(propan-2-yl)phenyl]methanone?
(3-fluoroazetidin-1-yl)-[4-hydroxy-3,5-di(propan-2-yl)phenyl]methanone has a molecular weight of 279.36 g/mol, XLogP of 3.43, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluoroazetidin-1-yl)-[4-hydroxy-3,5-di(propan-2-yl)phenyl]methanone is sourced from PubChem (CID 118195567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).