(3,3-difluoroazetidin-1-yl)-(3-fluoro-5-iodophenyl)methanone

C10H7F3INO — CID 172647106

IUPAC(3,3-difluoroazetidin-1-yl)-(3-fluoro-5-iodophenyl)methanone
SMILESO=C(c1cc(F)cc(I)c1)N1CC(F)(F)C1
InChIInChI=1S/C10H7F3INO/c11-7-1-6(2-8(14)3-7)9(16)15-4-10(12,13)5-15/h1-3H,4-5H2
InChIKeyWRABKIYCXHXSHW-UHFFFAOYSA-N
MW341.07 g/mol
LogP2.52
Rot. Bonds1

About (3,3-difluoroazetidin-1-yl)-(3-fluoro-5-iodophenyl)methanone

(3,3-difluoroazetidin-1-yl)-(3-fluoro-5-iodophenyl)methanone (PubChem CID 172647106) has the molecular formula C10H7F3INO and a molecular weight of 341.07 g/mol. Its IUPAC name is (3,3-difluoroazetidin-1-yl)-(3-fluoro-5-iodophenyl)methanone.

Molecular Properties

Compound Name(3,3-difluoroazetidin-1-yl)-(3-fluoro-5-iodophenyl)methanone
PubChem CID172647106
Molecular FormulaC10H7F3INO
Molecular Weight341.07 g/mol
Exact Mass340.95
IUPAC Name(3,3-difluoroazetidin-1-yl)-(3-fluoro-5-iodophenyl)methanone
SMILESO=C(c1cc(F)cc(I)c1)N1CC(F)(F)C1
InChIInChI=1S/C10H7F3INO/c11-7-1-6(2-8(14)3-7)9(16)15-4-10(12,13)5-15/h1-3H,4-5H2
InChIKeyWRABKIYCXHXSHW-UHFFFAOYSA-N
XLogP2.52
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.07
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

azetidin-1-yl-(3-fluoro-5-iodophenyl)methanone
CID 58290710
(4-amino-3,5-difluorophenyl)-(3,3-difluoroazetidin-1-yl)methanone
CID 172647132
(3,3-difluoroazetidin-1-yl)-(2-fluoro-5-iodophenyl)methanone
CID 58290528
(3,3-difluoroazetidin-1-yl)-(3-fluoro-4-propan-2-ylphenyl)methanone
CID 153498765
azocan-1-yl-(3,5-difluorophenyl)methanone
CID 86976941
(3,5-dibromophenyl)-(3,3-difluoropyrrolidin-1-yl)methanone
CID 155289431
1-(3-bromo-5-fluorobenzoyl)-3-fluoropyrrolidine-3-carboxylic acid
CID 119258893
2-(3,3-difluoropyrrolidine-1-carbonyl)-3,5-difluorobenzonitrile
CID 135305016
(3,3-difluoroazetidin-1-yl)-(4-methyl-3-methylsulfonylphenyl)methanone
CID 118473535
(3,3-difluoroazetidin-1-yl)-(4-ethyl-3-methoxyphenyl)methanone
CID 166828507
(4,4-dimethylpiperidin-1-yl)-[3-iodo-5-(trifluoromethyl)phenyl]methanone
CID 172648501
N-(1-adamantyl)-1-(3,5-difluorobenzoyl)piperidine-4-carboxamide
CID 68843507

Frequently Asked Questions

What is the IUPAC name of (3,3-difluoroazetidin-1-yl)-(3-fluoro-5-iodophenyl)methanone?
The IUPAC name of (3,3-difluoroazetidin-1-yl)-(3-fluoro-5-iodophenyl)methanone (CID 172647106) is (3,3-difluoroazetidin-1-yl)-(3-fluoro-5-iodophenyl)methanone.
What is the SMILES notation for (3,3-difluoroazetidin-1-yl)-(3-fluoro-5-iodophenyl)methanone?
The canonical SMILES for (3,3-difluoroazetidin-1-yl)-(3-fluoro-5-iodophenyl)methanone is O=C(c1cc(F)cc(I)c1)N1CC(F)(F)C1.
What is the InChIKey of (3,3-difluoroazetidin-1-yl)-(3-fluoro-5-iodophenyl)methanone?
The InChIKey is WRABKIYCXHXSHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F3INO/c11-7-1-6(2-8(14)3-7)9(16)15-4-10(12,13)5-15/h1-3H,4-5H2.
What are the key properties of (3,3-difluoroazetidin-1-yl)-(3-fluoro-5-iodophenyl)methanone?
(3,3-difluoroazetidin-1-yl)-(3-fluoro-5-iodophenyl)methanone has a molecular weight of 341.07 g/mol, XLogP of 2.52, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3,3-difluoroazetidin-1-yl)-(3-fluoro-5-iodophenyl)methanone is sourced from PubChem (CID 172647106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).