(3-fluoro-1-iodoazetidin-3-yl)methanamine

C4H8FIN2 — CID 122541313

IUPAC(3-fluoro-1-iodoazetidin-3-yl)methanamine
SMILESNCC1(F)CN(I)C1
InChIInChI=1S/C4H8FIN2/c5-4(1-7)2-8(6)3-4/h1-3,7H2
InChIKeyUGAUXZNZVMHVEN-UHFFFAOYSA-N
MW230.02 g/mol
LogP0.32
Rot. Bonds1

About (3-fluoro-1-iodoazetidin-3-yl)methanamine

(3-fluoro-1-iodoazetidin-3-yl)methanamine (PubChem CID 122541313) has the molecular formula C4H8FIN2 and a molecular weight of 230.02 g/mol. Its IUPAC name is (3-fluoro-1-iodoazetidin-3-yl)methanamine.

Molecular Properties

Compound Name(3-fluoro-1-iodoazetidin-3-yl)methanamine
PubChem CID122541313
Molecular FormulaC4H8FIN2
Molecular Weight230.02 g/mol
Exact Mass229.97
IUPAC Name(3-fluoro-1-iodoazetidin-3-yl)methanamine
SMILESNCC1(F)CN(I)C1
InChIInChI=1S/C4H8FIN2/c5-4(1-7)2-8(6)3-4/h1-3,7H2
InChIKeyUGAUXZNZVMHVEN-UHFFFAOYSA-N
XLogP0.32
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.02
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(3-fluoroazetidin-3-yl)-N,N-dimethylmethanamine
CID 89401815
(3-Fluoro-1-methylazetidin-3-yl)methanamine
CID 118185504
(3-Fluoroazetidin-3-yl)methanamine
CID 118998287
1-(3-fluoro-1-methylazetidin-3-yl)-N-methylmethanamine
CID 163251926
(1-Ethyl-3-fluoroazetidin-3-yl)methanamine
CID 163258288
1-(3-fluoroazetidin-3-yl)-N-methylmethanamine
CID 166507463
1-(azetidin-3-yl)-N-(fluoromethyl)methanamine
CID 167049553
3-(Azetidin-1-yl)-2-fluoro-2-methylpropan-1-amine
CID 84649098
1-[3-(Fluoromethyl)azetidin-3-yl]methanamine
CID 105427144
(1-Iodoazetidin-3-yl)methanamine
CID 122596028
(3-Fluoroazetidin-3-yl)methanamine hydrochloride
CID 118998286

Frequently Asked Questions

What is the IUPAC name of (3-fluoro-1-iodoazetidin-3-yl)methanamine?
The IUPAC name of (3-fluoro-1-iodoazetidin-3-yl)methanamine (CID 122541313) is (3-fluoro-1-iodoazetidin-3-yl)methanamine.
What is the SMILES notation for (3-fluoro-1-iodoazetidin-3-yl)methanamine?
The canonical SMILES for (3-fluoro-1-iodoazetidin-3-yl)methanamine is NCC1(F)CN(I)C1.
What is the InChIKey of (3-fluoro-1-iodoazetidin-3-yl)methanamine?
The InChIKey is UGAUXZNZVMHVEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8FIN2/c5-4(1-7)2-8(6)3-4/h1-3,7H2.
What are the key properties of (3-fluoro-1-iodoazetidin-3-yl)methanamine?
(3-fluoro-1-iodoazetidin-3-yl)methanamine has a molecular weight of 230.02 g/mol, XLogP of 0.32, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluoro-1-iodoazetidin-3-yl)methanamine is sourced from PubChem (CID 122541313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).