3-fluoro-3-(3-methylbutan-2-yl)azetidine

C8H16FN — CID 131213806

IUPAC3-fluoro-3-(3-methylbutan-2-yl)azetidine
SMILESCC(C)C(C)C1(F)CNC1
InChIInChI=1S/C8H16FN/c1-6(2)7(3)8(9)4-10-5-8/h6-7,10H,4-5H2,1-3H3
InChIKeyLLPDPRSLHOYKKU-UHFFFAOYSA-N
MW145.22 g/mol
LogP1.59
Rot. Bonds2

About 3-fluoro-3-(3-methylbutan-2-yl)azetidine

3-fluoro-3-(3-methylbutan-2-yl)azetidine (PubChem CID 131213806) has the molecular formula C8H16FN and a molecular weight of 145.22 g/mol. Its IUPAC name is 3-fluoro-3-(3-methylbutan-2-yl)azetidine.

Molecular Properties

Compound Name3-fluoro-3-(3-methylbutan-2-yl)azetidine
PubChem CID131213806
Molecular FormulaC8H16FN
Molecular Weight145.22 g/mol
Exact Mass145.13
IUPAC Name3-fluoro-3-(3-methylbutan-2-yl)azetidine
SMILESCC(C)C(C)C1(F)CNC1
InChIInChI=1S/C8H16FN/c1-6(2)7(3)8(9)4-10-5-8/h6-7,10H,4-5H2,1-3H3
InChIKeyLLPDPRSLHOYKKU-UHFFFAOYSA-N
XLogP1.59
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.22
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-3-(3-methylbutan-2-yl)azetidine?
The IUPAC name of 3-fluoro-3-(3-methylbutan-2-yl)azetidine (CID 131213806) is 3-fluoro-3-(3-methylbutan-2-yl)azetidine.
What is the SMILES notation for 3-fluoro-3-(3-methylbutan-2-yl)azetidine?
The canonical SMILES for 3-fluoro-3-(3-methylbutan-2-yl)azetidine is CC(C)C(C)C1(F)CNC1.
What is the InChIKey of 3-fluoro-3-(3-methylbutan-2-yl)azetidine?
The InChIKey is LLPDPRSLHOYKKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16FN/c1-6(2)7(3)8(9)4-10-5-8/h6-7,10H,4-5H2,1-3H3.
What are the key properties of 3-fluoro-3-(3-methylbutan-2-yl)azetidine?
3-fluoro-3-(3-methylbutan-2-yl)azetidine has a molecular weight of 145.22 g/mol, XLogP of 1.59, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-3-(3-methylbutan-2-yl)azetidine is sourced from PubChem (CID 131213806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).