azetidin-1-yl-(3-fluoro-5-iodophenyl)methanone

C10H9FINO — CID 58290710

IUPACazetidin-1-yl-(3-fluoro-5-iodophenyl)methanone
SMILESO=C(c1cc(F)cc(I)c1)N1CCC1
InChIInChI=1S/C10H9FINO/c11-8-4-7(5-9(12)6-8)10(14)13-2-1-3-13/h4-6H,1-3H2
InChIKeyHZTFVAWVCMKXTB-UHFFFAOYSA-N
MW305.09 g/mol
LogP2.28
Rot. Bonds1

About azetidin-1-yl-(3-fluoro-5-iodophenyl)methanone

azetidin-1-yl-(3-fluoro-5-iodophenyl)methanone (PubChem CID 58290710) has the molecular formula C10H9FINO and a molecular weight of 305.09 g/mol. Its IUPAC name is azetidin-1-yl-(3-fluoro-5-iodophenyl)methanone.

Molecular Properties

Compound Nameazetidin-1-yl-(3-fluoro-5-iodophenyl)methanone
PubChem CID58290710
Molecular FormulaC10H9FINO
Molecular Weight305.09 g/mol
Exact Mass304.97
IUPAC Nameazetidin-1-yl-(3-fluoro-5-iodophenyl)methanone
SMILESO=C(c1cc(F)cc(I)c1)N1CCC1
InChIInChI=1S/C10H9FINO/c11-8-4-7(5-9(12)6-8)10(14)13-2-1-3-13/h4-6H,1-3H2
InChIKeyHZTFVAWVCMKXTB-UHFFFAOYSA-N
XLogP2.28
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.09
LogP ≤ 52.28
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

azocan-1-yl-(3,5-difluorophenyl)methanone
CID 86976941
(3,3-difluoroazetidin-1-yl)-(3-fluoro-5-iodophenyl)methanone
CID 172647106
azetidin-1-yl-(3-iodophenyl)methanone
CID 58181602
[3,5-bis(pyrrolidine-1-carbonyl)phenyl]-pyrrolidin-1-ylmethanone
CID 171722697
[4-(3-fluorobenzoyl)-1,4-diazepan-1-yl]-(3-fluorophenyl)methanone
CID 753113
[4-(2-bromoethyl)-1,4-diazepan-1-yl]-(3,5-difluorophenyl)methanone
CID 80666256
azetidin-1-yl-(3-fluoro-4-iodophenyl)methanone
CID 139600419
(3-fluorophenyl)-piperidin-1-ylmethanone
CID 963335
(3-bromo-5-fluorophenyl)-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]methanone
CID 63308549
(3-fluorophenyl)-[4-(3,4,5-trihydroxybenzoyl)-1,4-diazepan-1-yl]methanone
CID 108545753
aziridin-1-yl-[3,5-bis(aziridine-1-carbonyl)phenyl]methanone
CID 27654
(3,5-difluorophenyl)-[4-[(2,5-difluorophenyl)methyl]-1,4-diazepan-1-yl]methanone
CID 23792504

Frequently Asked Questions

What is the IUPAC name of azetidin-1-yl-(3-fluoro-5-iodophenyl)methanone?
The IUPAC name of azetidin-1-yl-(3-fluoro-5-iodophenyl)methanone (CID 58290710) is azetidin-1-yl-(3-fluoro-5-iodophenyl)methanone.
What is the SMILES notation for azetidin-1-yl-(3-fluoro-5-iodophenyl)methanone?
The canonical SMILES for azetidin-1-yl-(3-fluoro-5-iodophenyl)methanone is O=C(c1cc(F)cc(I)c1)N1CCC1.
What is the InChIKey of azetidin-1-yl-(3-fluoro-5-iodophenyl)methanone?
The InChIKey is HZTFVAWVCMKXTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9FINO/c11-8-4-7(5-9(12)6-8)10(14)13-2-1-3-13/h4-6H,1-3H2.
What are the key properties of azetidin-1-yl-(3-fluoro-5-iodophenyl)methanone?
azetidin-1-yl-(3-fluoro-5-iodophenyl)methanone has a molecular weight of 305.09 g/mol, XLogP of 2.28, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for azetidin-1-yl-(3-fluoro-5-iodophenyl)methanone is sourced from PubChem (CID 58290710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).