1-(2,4-dimethylpent-2-en-3-yl)-3-fluoro-3-methylazetidine

C11H20FN — CID 163569908

IUPAC1-(2,4-dimethylpent-2-en-3-yl)-3-fluoro-3-methylazetidine
SMILESCC(C)=C(C(C)C)N1CC(C)(F)C1
InChIInChI=1S/C11H20FN/c1-8(2)10(9(3)4)13-6-11(5,12)7-13/h8H,6-7H2,1-5H3
InChIKeyFYLLOZHRRHKMOH-UHFFFAOYSA-N
MW185.29 g/mol
LogP2.98
Rot. Bonds2

About 1-(2,4-dimethylpent-2-en-3-yl)-3-fluoro-3-methylazetidine

1-(2,4-dimethylpent-2-en-3-yl)-3-fluoro-3-methylazetidine (PubChem CID 163569908) has the molecular formula C11H20FN and a molecular weight of 185.29 g/mol. Its IUPAC name is 1-(2,4-dimethylpent-2-en-3-yl)-3-fluoro-3-methylazetidine.

Molecular Properties

Compound Name1-(2,4-dimethylpent-2-en-3-yl)-3-fluoro-3-methylazetidine
PubChem CID163569908
Molecular FormulaC11H20FN
Molecular Weight185.29 g/mol
Exact Mass185.16
IUPAC Name1-(2,4-dimethylpent-2-en-3-yl)-3-fluoro-3-methylazetidine
SMILESCC(C)=C(C(C)C)N1CC(C)(F)C1
InChIInChI=1S/C11H20FN/c1-8(2)10(9(3)4)13-6-11(5,12)7-13/h8H,6-7H2,1-5H3
InChIKeyFYLLOZHRRHKMOH-UHFFFAOYSA-N
XLogP2.98
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.29
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-(2,4-dimethylpent-2-en-3-yl)morpholine
CID 5100912
1-(6-fluoro-6-methyl-2-azaspiro[3.3]heptan-2-yl)-2-methylpropan-1-one
CID 162092392
ethane;1-(3-fluoro-3-methylpyrrolidin-1-yl)ethanone
CID 144575237
3-methyl-1-(2-methylpropanoyl)azetidine-3-carbaldehyde
CID 20592369
1-(3,3-dimethylpyrrolidin-1-yl)-2-methylpropan-1-one;ethane
CID 177053716
6-fluoro-6-methyl-2-propan-2-yl-2-azaspiro[3.3]heptane
CID 156813146
5,5-difluoro-3-methyl-1-propan-2-ylpiperidin-3-ol
CID 178173049
(E)-6-(3-fluoro-3-methylazetidin-1-yl)-2-methylhex-4-en-3-one
CID 126624316
3-fluoro-1,3-dimethylazetidine
CID 89296536
3,3,4-trifluoro-4-methyl-1-propan-2-ylpyrrolidine
CID 159310583
bis((2S)-2-amino-1-(3,3,4,4-tetrafluoropyrrolidin-1-yl)propan-1-one);dihydrochloride
CID 158386943
cyclobutyl-(3-fluoro-3-methylazetidin-1-yl)methanone
CID 130890914

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethylpent-2-en-3-yl)-3-fluoro-3-methylazetidine?
The IUPAC name of 1-(2,4-dimethylpent-2-en-3-yl)-3-fluoro-3-methylazetidine (CID 163569908) is 1-(2,4-dimethylpent-2-en-3-yl)-3-fluoro-3-methylazetidine.
What is the SMILES notation for 1-(2,4-dimethylpent-2-en-3-yl)-3-fluoro-3-methylazetidine?
The canonical SMILES for 1-(2,4-dimethylpent-2-en-3-yl)-3-fluoro-3-methylazetidine is CC(C)=C(C(C)C)N1CC(C)(F)C1.
What is the InChIKey of 1-(2,4-dimethylpent-2-en-3-yl)-3-fluoro-3-methylazetidine?
The InChIKey is FYLLOZHRRHKMOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20FN/c1-8(2)10(9(3)4)13-6-11(5,12)7-13/h8H,6-7H2,1-5H3.
What are the key properties of 1-(2,4-dimethylpent-2-en-3-yl)-3-fluoro-3-methylazetidine?
1-(2,4-dimethylpent-2-en-3-yl)-3-fluoro-3-methylazetidine has a molecular weight of 185.29 g/mol, XLogP of 2.98, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethylpent-2-en-3-yl)-3-fluoro-3-methylazetidine is sourced from PubChem (CID 163569908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).