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

C8H14FN — CID 170117416

IUPAC3-fluoro-1-(3-methylbut-1-en-2-yl)azetidine
SMILESC=C(C(C)C)N1CC(F)C1
InChIInChI=1S/C8H14FN/c1-6(2)7(3)10-4-8(9)5-10/h6,8H,3-5H2,1-2H3
InChIKeyAUGNQMLJDOHGIW-UHFFFAOYSA-N
MW143.20 g/mol
LogP1.81
Rot. Bonds2

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

3-fluoro-1-(3-methylbut-1-en-2-yl)azetidine (PubChem CID 170117416) has the molecular formula C8H14FN and a molecular weight of 143.20 g/mol. Its IUPAC name is 3-fluoro-1-(3-methylbut-1-en-2-yl)azetidine.

Molecular Properties

Compound Name3-fluoro-1-(3-methylbut-1-en-2-yl)azetidine
PubChem CID170117416
Molecular FormulaC8H14FN
Molecular Weight143.20 g/mol
Exact Mass143.11
IUPAC Name3-fluoro-1-(3-methylbut-1-en-2-yl)azetidine
SMILESC=C(C(C)C)N1CC(F)C1
InChIInChI=1S/C8H14FN/c1-6(2)7(3)10-4-8(9)5-10/h6,8H,3-5H2,1-2H3
InChIKeyAUGNQMLJDOHGIW-UHFFFAOYSA-N
XLogP1.81
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.20
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-1-(3-methylbut-1-en-2-yl)azetidine?
The IUPAC name of 3-fluoro-1-(3-methylbut-1-en-2-yl)azetidine (CID 170117416) is 3-fluoro-1-(3-methylbut-1-en-2-yl)azetidine.
What is the SMILES notation for 3-fluoro-1-(3-methylbut-1-en-2-yl)azetidine?
The canonical SMILES for 3-fluoro-1-(3-methylbut-1-en-2-yl)azetidine is C=C(C(C)C)N1CC(F)C1.
What is the InChIKey of 3-fluoro-1-(3-methylbut-1-en-2-yl)azetidine?
The InChIKey is AUGNQMLJDOHGIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14FN/c1-6(2)7(3)10-4-8(9)5-10/h6,8H,3-5H2,1-2H3.
What are the key properties of 3-fluoro-1-(3-methylbut-1-en-2-yl)azetidine?
3-fluoro-1-(3-methylbut-1-en-2-yl)azetidine has a molecular weight of 143.20 g/mol, XLogP of 1.81, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-1-(3-methylbut-1-en-2-yl)azetidine is sourced from PubChem (CID 170117416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).