3-fluoro-3-(2-methylprop-2-enyl)azetidine

C7H12FN — CID 122239981

IUPAC3-fluoro-3-(2-methylprop-2-enyl)azetidine
SMILESC=C(C)CC1(F)CNC1
InChIInChI=1S/C7H12FN/c1-6(2)3-7(8)4-9-5-7/h9H,1,3-5H2,2H3
InChIKeyQUPHUUHJZNRORW-UHFFFAOYSA-N
MW129.18 g/mol
LogP1.26
Rot. Bonds2

About 3-fluoro-3-(2-methylprop-2-enyl)azetidine

3-fluoro-3-(2-methylprop-2-enyl)azetidine (PubChem CID 122239981) has the molecular formula C7H12FN and a molecular weight of 129.18 g/mol. Its IUPAC name is 3-fluoro-3-(2-methylprop-2-enyl)azetidine.

Molecular Properties

Compound Name3-fluoro-3-(2-methylprop-2-enyl)azetidine
PubChem CID122239981
Molecular FormulaC7H12FN
Molecular Weight129.18 g/mol
Exact Mass129.10
IUPAC Name3-fluoro-3-(2-methylprop-2-enyl)azetidine
SMILESC=C(C)CC1(F)CNC1
InChIInChI=1S/C7H12FN/c1-6(2)3-7(8)4-9-5-7/h9H,1,3-5H2,2H3
InChIKeyQUPHUUHJZNRORW-UHFFFAOYSA-N
XLogP1.26
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.18
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-fluoro-3-(3-methylbut-2-enyl)azetidine
CID 122239921
2-(3-fluoroazetidin-3-yl)-1-pyrrolidin-1-ylethanone;hydrochloride
CID 122239614
3-butyl-3-fluoroazetidine
CID 112563312
7-(2-methylprop-2-enyl)-2,7-diazaspiro[3.5]nonane
CID 123334740
3-(3-fluoroazetidin-3-yl)propanenitrile;hydrochloride
CID 122239781
(3S)-3-ethyl-3-fluoropyrrolidine
CID 129375311
1,1,3-trimethyl-3-(2-methylprop-2-enyl)cyclobutane
CID 171620103
tert-butyl N-[(3-fluoroazetidin-3-yl)methyl]carbamate;hydrochloride
CID 118998436
3,3-difluoro-4-prop-1-en-2-ylpyrrolidine
CID 162620781
(2S)-2-fluoro-2-(2-methylprop-2-enyl)cyclopentan-1-one
CID 130618180
ethane;3-(2-methylprop-2-enyl)azetidine
CID 143794874
3-fluoro-3-[(2-methylphenyl)methyl]azetidine;hydrochloride
CID 122239730

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-3-(2-methylprop-2-enyl)azetidine?
The IUPAC name of 3-fluoro-3-(2-methylprop-2-enyl)azetidine (CID 122239981) is 3-fluoro-3-(2-methylprop-2-enyl)azetidine.
What is the SMILES notation for 3-fluoro-3-(2-methylprop-2-enyl)azetidine?
The canonical SMILES for 3-fluoro-3-(2-methylprop-2-enyl)azetidine is C=C(C)CC1(F)CNC1.
What is the InChIKey of 3-fluoro-3-(2-methylprop-2-enyl)azetidine?
The InChIKey is QUPHUUHJZNRORW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12FN/c1-6(2)3-7(8)4-9-5-7/h9H,1,3-5H2,2H3.
What are the key properties of 3-fluoro-3-(2-methylprop-2-enyl)azetidine?
3-fluoro-3-(2-methylprop-2-enyl)azetidine has a molecular weight of 129.18 g/mol, XLogP of 1.26, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-3-(2-methylprop-2-enyl)azetidine is sourced from PubChem (CID 122239981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).