(3-fluoro-2-iodophenyl)-(3-hydroxyazetidin-1-yl)methanone

C10H9FINO2 — CID 75431268

IUPAC(3-fluoro-2-iodophenyl)-(3-hydroxyazetidin-1-yl)methanone
SMILESO=C(c1cccc(F)c1I)N1CC(O)C1
InChIInChI=1S/C10H9FINO2/c11-8-3-1-2-7(9(8)12)10(15)13-4-6(14)5-13/h1-3,6,14H,4-5H2
InChIKeyBGWMQGQYQBXPRB-UHFFFAOYSA-N
MW321.09 g/mol
LogP1.25
Rot. Bonds1

About (3-fluoro-2-iodophenyl)-(3-hydroxyazetidin-1-yl)methanone

(3-fluoro-2-iodophenyl)-(3-hydroxyazetidin-1-yl)methanone (PubChem CID 75431268) has the molecular formula C10H9FINO2 and a molecular weight of 321.09 g/mol. Its IUPAC name is (3-fluoro-2-iodophenyl)-(3-hydroxyazetidin-1-yl)methanone.

Molecular Properties

Compound Name(3-fluoro-2-iodophenyl)-(3-hydroxyazetidin-1-yl)methanone
PubChem CID75431268
Molecular FormulaC10H9FINO2
Molecular Weight321.09 g/mol
Exact Mass320.97
IUPAC Name(3-fluoro-2-iodophenyl)-(3-hydroxyazetidin-1-yl)methanone
SMILESO=C(c1cccc(F)c1I)N1CC(O)C1
InChIInChI=1S/C10H9FINO2/c11-8-3-1-2-7(9(8)12)10(15)13-4-6(14)5-13/h1-3,6,14H,4-5H2
InChIKeyBGWMQGQYQBXPRB-UHFFFAOYSA-N
XLogP1.25
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.09
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(3-fluoro-2-iodophenyl)-pyrrolidin-1-ylmethanone
CID 155803238
(3-hydroxyazetidin-1-yl)-(3-hydroxy-2-methylphenyl)methanone
CID 82829609
(3-aminoazetidin-1-yl)-(2-fluorophenyl)methanone
CID 63755092
[2-(difluoromethylsulfanyl)phenyl]-(3-hydroxyazetidin-1-yl)methanone
CID 63106593
(3-bromo-2-iodophenyl)-(3-methylazetidin-1-yl)methanone
CID 172646497
(2,3-difluorophenyl)-(3,5-dimethylpiperazin-1-yl)methanone
CID 63872512
(3-hydroxyazetidin-1-yl)-(2,4,5-trifluoro-3-hydroxyphenyl)methanone
CID 55178971
1-(2-fluorobenzoyl)azetidine-3-carboxylate
CID 7100057
(2-fluoro-3-methylphenyl)-(3-hydroxypyrrolidin-1-yl)methanone
CID 81481180
(3-hydroxypyrrolidin-1-yl)-(2-iodophenyl)methanone
CID 55211972
[(3aR,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-(2-fluorophenyl)methanone
CID 124514443
(2-chloro-3-fluorophenyl)-(4-hydroxy-3-methylpiperidin-1-yl)methanone
CID 114680247

Frequently Asked Questions

What is the IUPAC name of (3-fluoro-2-iodophenyl)-(3-hydroxyazetidin-1-yl)methanone?
The IUPAC name of (3-fluoro-2-iodophenyl)-(3-hydroxyazetidin-1-yl)methanone (CID 75431268) is (3-fluoro-2-iodophenyl)-(3-hydroxyazetidin-1-yl)methanone.
What is the SMILES notation for (3-fluoro-2-iodophenyl)-(3-hydroxyazetidin-1-yl)methanone?
The canonical SMILES for (3-fluoro-2-iodophenyl)-(3-hydroxyazetidin-1-yl)methanone is O=C(c1cccc(F)c1I)N1CC(O)C1.
What is the InChIKey of (3-fluoro-2-iodophenyl)-(3-hydroxyazetidin-1-yl)methanone?
The InChIKey is BGWMQGQYQBXPRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9FINO2/c11-8-3-1-2-7(9(8)12)10(15)13-4-6(14)5-13/h1-3,6,14H,4-5H2.
What are the key properties of (3-fluoro-2-iodophenyl)-(3-hydroxyazetidin-1-yl)methanone?
(3-fluoro-2-iodophenyl)-(3-hydroxyazetidin-1-yl)methanone has a molecular weight of 321.09 g/mol, XLogP of 1.25, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluoro-2-iodophenyl)-(3-hydroxyazetidin-1-yl)methanone is sourced from PubChem (CID 75431268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).