3-(fluoromethyl)-1-(iodomethyl)azetidine

C5H9FIN — CID 166984251

IUPAC3-(fluoromethyl)-1-(iodomethyl)azetidine
SMILESFCC1CN(CI)C1
InChIInChI=1S/C5H9FIN/c6-1-5-2-8(3-5)4-7/h5H,1-4H2
InChIKeyUJNCDNCGPVHRRK-UHFFFAOYSA-N
MW229.04 g/mol
LogP1.28
Rot. Bonds2

About 3-(fluoromethyl)-1-(iodomethyl)azetidine

3-(fluoromethyl)-1-(iodomethyl)azetidine (PubChem CID 166984251) has the molecular formula C5H9FIN and a molecular weight of 229.04 g/mol. Its IUPAC name is 3-(fluoromethyl)-1-(iodomethyl)azetidine.

Molecular Properties

Compound Name3-(fluoromethyl)-1-(iodomethyl)azetidine
PubChem CID166984251
Molecular FormulaC5H9FIN
Molecular Weight229.04 g/mol
Exact Mass228.98
IUPAC Name3-(fluoromethyl)-1-(iodomethyl)azetidine
SMILESFCC1CN(CI)C1
InChIInChI=1S/C5H9FIN/c6-1-5-2-8(3-5)4-7/h5H,1-4H2
InChIKeyUJNCDNCGPVHRRK-UHFFFAOYSA-N
XLogP1.28
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.04
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-(fluoromethyl)-1-iodoazetidine
CID 118372813
3-[3-(fluoromethyl)azetidin-1-yl]propan-1-amine
CID 121201628
3-(fluoromethyl)-1-propan-2-ylazetidine
CID 118375071
1-[3-(fluoromethyl)azetidin-1-yl]ethanone
CID 121188787
3-bromo-5-[[3-(fluoromethyl)azetidin-1-yl]methyl]pyridine
CID 171993882
4-[3-(fluoromethyl)azetidin-1-yl]cyclohexan-1-amine;dihydrochloride
CID 142544407
ethane;3-(fluoromethyl)-1-propan-2-ylpyrrolidine
CID 145315824
(3S)-1-(2-azidoethyl)-3-(fluoromethyl)pyrrolidine
CID 129495684
2-[3-(fluoromethyl)azetidin-1-yl]-3-methylhexan-1-ol
CID 123492233
3-[3-(fluoromethyl)piperidin-1-yl]propanoic acid
CID 121200949
3-ethyl-5-[3-(fluoromethyl)azetidin-1-yl]-1,2,4-thiadiazole
CID 167763654
1-[(5-bromo-1-benzofuran-2-yl)methyl]-3-(fluoromethyl)azetidine;ethane
CID 177232062

Frequently Asked Questions

What is the IUPAC name of 3-(fluoromethyl)-1-(iodomethyl)azetidine?
The IUPAC name of 3-(fluoromethyl)-1-(iodomethyl)azetidine (CID 166984251) is 3-(fluoromethyl)-1-(iodomethyl)azetidine.
What is the SMILES notation for 3-(fluoromethyl)-1-(iodomethyl)azetidine?
The canonical SMILES for 3-(fluoromethyl)-1-(iodomethyl)azetidine is FCC1CN(CI)C1.
What is the InChIKey of 3-(fluoromethyl)-1-(iodomethyl)azetidine?
The InChIKey is UJNCDNCGPVHRRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9FIN/c6-1-5-2-8(3-5)4-7/h5H,1-4H2.
What are the key properties of 3-(fluoromethyl)-1-(iodomethyl)azetidine?
3-(fluoromethyl)-1-(iodomethyl)azetidine has a molecular weight of 229.04 g/mol, XLogP of 1.28, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(fluoromethyl)-1-(iodomethyl)azetidine is sourced from PubChem (CID 166984251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).