(3,3-difluoroazetidin-1-yl)-(2-fluoro-5-iodophenyl)methanone

C10H7F3INO — CID 58290528

IUPAC(3,3-difluoroazetidin-1-yl)-(2-fluoro-5-iodophenyl)methanone
SMILESO=C(c1cc(I)ccc1F)N1CC(F)(F)C1
InChIInChI=1S/C10H7F3INO/c11-8-2-1-6(14)3-7(8)9(16)15-4-10(12,13)5-15/h1-3H,4-5H2
InChIKeyHIEDCQQNHYUULW-UHFFFAOYSA-N
MW341.07 g/mol
LogP2.52
Rot. Bonds1

About (3,3-difluoroazetidin-1-yl)-(2-fluoro-5-iodophenyl)methanone

(3,3-difluoroazetidin-1-yl)-(2-fluoro-5-iodophenyl)methanone (PubChem CID 58290528) has the molecular formula C10H7F3INO and a molecular weight of 341.07 g/mol. Its IUPAC name is (3,3-difluoroazetidin-1-yl)-(2-fluoro-5-iodophenyl)methanone.

Molecular Properties

Compound Name(3,3-difluoroazetidin-1-yl)-(2-fluoro-5-iodophenyl)methanone
PubChem CID58290528
Molecular FormulaC10H7F3INO
Molecular Weight341.07 g/mol
Exact Mass340.95
IUPAC Name(3,3-difluoroazetidin-1-yl)-(2-fluoro-5-iodophenyl)methanone
SMILESO=C(c1cc(I)ccc1F)N1CC(F)(F)C1
InChIInChI=1S/C10H7F3INO/c11-8-2-1-6(14)3-7(8)9(16)15-4-10(12,13)5-15/h1-3H,4-5H2
InChIKeyHIEDCQQNHYUULW-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

(4,4-difluoropiperidin-1-yl)-(2-fluoro-5-iodophenyl)methanone
CID 58290718
[3-(dimethylamino)azetidin-1-yl]-(2-fluoro-5-iodophenyl)methanone
CID 172646753
(3,3-difluoroazetidin-1-yl)-(3-fluoro-5-iodophenyl)methanone
CID 172647106
(5-amino-2-fluorophenyl)-(3-hydroxy-3-methylazetidin-1-yl)methanone
CID 107210518
(4-amino-3,5-difluorophenyl)-(3,3-difluoroazetidin-1-yl)methanone
CID 172647132
[3,4-difluoro-2-[(2-fluoro-4-iodophenyl)methyl]phenyl]-(3-hydroxy-3-methylazetidin-1-yl)methanone
CID 58222272
(5-bromo-2-fluorophenyl)-(2,2,6,6-tetramethylmorpholin-4-yl)methanone
CID 102743982
(4,4-difluoropiperidin-1-yl)-(2-fluoro-5-propan-2-ylphenyl)methanone
CID 58290377
methyl 2-fluoro-5-iodobenzoate
CID 24820379
(3,3-difluoroazetidin-1-yl)-(3-fluoro-4-propan-2-ylphenyl)methanone
CID 153498765
(4,4-difluoropiperidin-1-yl)-[4-iodo-2-(trifluoromethyl)phenyl]methanone
CID 171921571
(3-butyl-3-fluoroazetidin-1-yl)-[3,4-difluoro-2-[(2-fluoro-4-iodophenyl)methyl]phenyl]methanone
CID 58483541

Frequently Asked Questions

What is the IUPAC name of (3,3-difluoroazetidin-1-yl)-(2-fluoro-5-iodophenyl)methanone?
The IUPAC name of (3,3-difluoroazetidin-1-yl)-(2-fluoro-5-iodophenyl)methanone (CID 58290528) is (3,3-difluoroazetidin-1-yl)-(2-fluoro-5-iodophenyl)methanone.
What is the SMILES notation for (3,3-difluoroazetidin-1-yl)-(2-fluoro-5-iodophenyl)methanone?
The canonical SMILES for (3,3-difluoroazetidin-1-yl)-(2-fluoro-5-iodophenyl)methanone is O=C(c1cc(I)ccc1F)N1CC(F)(F)C1.
What is the InChIKey of (3,3-difluoroazetidin-1-yl)-(2-fluoro-5-iodophenyl)methanone?
The InChIKey is HIEDCQQNHYUULW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F3INO/c11-8-2-1-6(14)3-7(8)9(16)15-4-10(12,13)5-15/h1-3H,4-5H2.
What are the key properties of (3,3-difluoroazetidin-1-yl)-(2-fluoro-5-iodophenyl)methanone?
(3,3-difluoroazetidin-1-yl)-(2-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)-(2-fluoro-5-iodophenyl)methanone is sourced from PubChem (CID 58290528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).