3-fluoro-3-methyl-1-(3-methylbut-2-en-2-yl)azetidine

C9H16FN — CID 166972880

IUPAC3-fluoro-3-methyl-1-(3-methylbut-2-en-2-yl)azetidine
SMILESCC(C)=C(C)N1CC(C)(F)C1
InChIInChI=1S/C9H16FN/c1-7(2)8(3)11-5-9(4,10)6-11/h5-6H2,1-4H3
InChIKeyAHSCAPHTQMRMTO-UHFFFAOYSA-N
MW157.23 g/mol
LogP2.34
Rot. Bonds1

About 3-fluoro-3-methyl-1-(3-methylbut-2-en-2-yl)azetidine

3-fluoro-3-methyl-1-(3-methylbut-2-en-2-yl)azetidine (PubChem CID 166972880) has the molecular formula C9H16FN and a molecular weight of 157.23 g/mol. Its IUPAC name is 3-fluoro-3-methyl-1-(3-methylbut-2-en-2-yl)azetidine.

Molecular Properties

Compound Name3-fluoro-3-methyl-1-(3-methylbut-2-en-2-yl)azetidine
PubChem CID166972880
Molecular FormulaC9H16FN
Molecular Weight157.23 g/mol
Exact Mass157.13
IUPAC Name3-fluoro-3-methyl-1-(3-methylbut-2-en-2-yl)azetidine
SMILESCC(C)=C(C)N1CC(C)(F)C1
InChIInChI=1S/C9H16FN/c1-7(2)8(3)11-5-9(4,10)6-11/h5-6H2,1-4H3
InChIKeyAHSCAPHTQMRMTO-UHFFFAOYSA-N
XLogP2.34
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.23
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3,3-Difluoro-1-(3-methylbut-2-en-2-yl)azetidine
CID 155036779
1-(2,4-Dimethylpent-2-en-3-yl)-3-fluoro-3-methylazetidine
CID 163569908
1-Tert-butyl-3-(1-fluoroethylidene)azetidine
CID 157411999
N,3-dimethyl-N-propylbut-2-en-2-amine
CID 129106801
1-(3-Methylbut-2-en-2-yl)azetidine
CID 155036778

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-3-methyl-1-(3-methylbut-2-en-2-yl)azetidine?
The IUPAC name of 3-fluoro-3-methyl-1-(3-methylbut-2-en-2-yl)azetidine (CID 166972880) is 3-fluoro-3-methyl-1-(3-methylbut-2-en-2-yl)azetidine.
What is the SMILES notation for 3-fluoro-3-methyl-1-(3-methylbut-2-en-2-yl)azetidine?
The canonical SMILES for 3-fluoro-3-methyl-1-(3-methylbut-2-en-2-yl)azetidine is CC(C)=C(C)N1CC(C)(F)C1.
What is the InChIKey of 3-fluoro-3-methyl-1-(3-methylbut-2-en-2-yl)azetidine?
The InChIKey is AHSCAPHTQMRMTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16FN/c1-7(2)8(3)11-5-9(4,10)6-11/h5-6H2,1-4H3.
What are the key properties of 3-fluoro-3-methyl-1-(3-methylbut-2-en-2-yl)azetidine?
3-fluoro-3-methyl-1-(3-methylbut-2-en-2-yl)azetidine has a molecular weight of 157.23 g/mol, XLogP of 2.34, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-3-methyl-1-(3-methylbut-2-en-2-yl)azetidine is sourced from PubChem (CID 166972880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).