(2-fluoro-5-hydroxyphenyl)-[2-(4-fluorophenyl)azetidin-1-yl]methanone

C16H13F2NO2 — CID 137337531

IUPAC(2-fluoro-5-hydroxyphenyl)-[2-(4-fluorophenyl)azetidin-1-yl]methanone
SMILESO=C(c1cc(O)ccc1F)N1CCC1c1ccc(F)cc1
InChIInChI=1S/C16H13F2NO2/c17-11-3-1-10(2-4-11)15-7-8-19(15)16(21)13-9-12(20)5-6-14(13)18/h1-6,9,15,20H,7-8H2
InChIKeyISJGMVSJNLAEAX-UHFFFAOYSA-N
MW289.28 g/mol
LogP3.26
Rot. Bonds2

About (2-fluoro-5-hydroxyphenyl)-[2-(4-fluorophenyl)azetidin-1-yl]methanone

(2-fluoro-5-hydroxyphenyl)-[2-(4-fluorophenyl)azetidin-1-yl]methanone (PubChem CID 137337531) has the molecular formula C16H13F2NO2 and a molecular weight of 289.28 g/mol. Its IUPAC name is (2-fluoro-5-hydroxyphenyl)-[2-(4-fluorophenyl)azetidin-1-yl]methanone.

Molecular Properties

Compound Name(2-fluoro-5-hydroxyphenyl)-[2-(4-fluorophenyl)azetidin-1-yl]methanone
PubChem CID137337531
Molecular FormulaC16H13F2NO2
Molecular Weight289.28 g/mol
Exact Mass289.09
IUPAC Name(2-fluoro-5-hydroxyphenyl)-[2-(4-fluorophenyl)azetidin-1-yl]methanone
SMILESO=C(c1cc(O)ccc1F)N1CCC1c1ccc(F)cc1
InChIInChI=1S/C16H13F2NO2/c17-11-3-1-10(2-4-11)15-7-8-19(15)16(21)13-9-12(20)5-6-14(13)18/h1-6,9,15,20H,7-8H2
InChIKeyISJGMVSJNLAEAX-UHFFFAOYSA-N
XLogP3.26
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.28
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(7-fluoro-2-methylquinolin-4-yl)-[2-(4-fluorophenyl)azetidin-1-yl]methanone
CID 70738729
[2-(4-fluorophenyl)piperidin-1-yl]-(3-hydroxy-2-methylphenyl)methanone
CID 70744880
5-[2-(4-fluorophenyl)azetidine-1-carbonyl]-2-propan-2-yl-1H-pyrimidin-6-one
CID 56860945
cyclopropyl-[4-[(2R)-2-(4-fluorophenyl)azetidine-1-carbonyl]piperidin-1-yl]methanone
CID 97149488
(5-amino-2-methylphenyl)-[2-(4-fluorophenyl)piperidin-1-yl]methanone;hydrochloride
CID 120637115
[2-(4-fluorophenyl)azetidin-1-yl]-[3-(1,2,4-triazol-4-yl)phenyl]methanone
CID 72928211
4-fluoro-3-[(2R)-2-(3-methoxyphenyl)azetidine-1-carbonyl]benzenesulfonamide
CID 97112057
[2-(4-fluorophenyl)pyrrolidin-1-yl]-(2-methoxyphenyl)methanone
CID 50747061
2-[4-[(2S)-2-(4-fluorophenyl)azetidine-1-carbonyl]piperidin-1-yl]acetamide
CID 97122736
(3-fluorophenyl)-[2-(4-fluorophenyl)pyrrolidin-1-yl]methanone
CID 50747006
3-(2,5-difluorophenyl)-1-[(2S)-2-(4-hydroxyphenyl)pyrrolidin-1-yl]propan-1-one
CID 94801020
[(3S)-3-(aminomethyl)pyrrolidin-1-yl]-(2-fluoro-5-hydroxyphenyl)methanone
CID 125447813

Frequently Asked Questions

What is the IUPAC name of (2-fluoro-5-hydroxyphenyl)-[2-(4-fluorophenyl)azetidin-1-yl]methanone?
The IUPAC name of (2-fluoro-5-hydroxyphenyl)-[2-(4-fluorophenyl)azetidin-1-yl]methanone (CID 137337531) is (2-fluoro-5-hydroxyphenyl)-[2-(4-fluorophenyl)azetidin-1-yl]methanone.
What is the SMILES notation for (2-fluoro-5-hydroxyphenyl)-[2-(4-fluorophenyl)azetidin-1-yl]methanone?
The canonical SMILES for (2-fluoro-5-hydroxyphenyl)-[2-(4-fluorophenyl)azetidin-1-yl]methanone is O=C(c1cc(O)ccc1F)N1CCC1c1ccc(F)cc1.
What is the InChIKey of (2-fluoro-5-hydroxyphenyl)-[2-(4-fluorophenyl)azetidin-1-yl]methanone?
The InChIKey is ISJGMVSJNLAEAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F2NO2/c17-11-3-1-10(2-4-11)15-7-8-19(15)16(21)13-9-12(20)5-6-14(13)18/h1-6,9,15,20H,7-8H2.
What are the key properties of (2-fluoro-5-hydroxyphenyl)-[2-(4-fluorophenyl)azetidin-1-yl]methanone?
(2-fluoro-5-hydroxyphenyl)-[2-(4-fluorophenyl)azetidin-1-yl]methanone has a molecular weight of 289.28 g/mol, XLogP of 3.26, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluoro-5-hydroxyphenyl)-[2-(4-fluorophenyl)azetidin-1-yl]methanone is sourced from PubChem (CID 137337531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).