3-fluoro-3-(2-methylpropyl)azetidine

C7H14FN — CID 112563445

IUPAC3-fluoro-3-(2-methylpropyl)azetidine
SMILESCC(C)CC1(F)CNC1
InChIInChI=1S/C7H14FN/c1-6(2)3-7(8)4-9-5-7/h6,9H,3-5H2,1-2H3
InChIKeyJEIKYEXGKXLSJD-UHFFFAOYSA-N
MW131.19 g/mol
LogP1.34
Rot. Bonds2

About 3-fluoro-3-(2-methylpropyl)azetidine

3-fluoro-3-(2-methylpropyl)azetidine (PubChem CID 112563445) has the molecular formula C7H14FN and a molecular weight of 131.19 g/mol. Its IUPAC name is 3-fluoro-3-(2-methylpropyl)azetidine.

Molecular Properties

Compound Name3-fluoro-3-(2-methylpropyl)azetidine
PubChem CID112563445
Molecular FormulaC7H14FN
Molecular Weight131.19 g/mol
Exact Mass131.11
IUPAC Name3-fluoro-3-(2-methylpropyl)azetidine
SMILESCC(C)CC1(F)CNC1
InChIInChI=1S/C7H14FN/c1-6(2)3-7(8)4-9-5-7/h6,9H,3-5H2,1-2H3
InChIKeyJEIKYEXGKXLSJD-UHFFFAOYSA-N
XLogP1.34
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.19
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-Cyclopropyl-3-fluoroazetidine hydrochloride
CID 66589642
3-(2-Methylpropyl)azetidine hydrochloride
CID 137951741
N-(fluoromethyl)-2-methylpentan-1-amine
CID 22637648
3-Cyclopropyl-3-fluoroazetidine
CID 57674934
3-Fluoro-3-isopropyl-azetidine
CID 58222498
3-(2-Methylpropyl)azetidine
CID 62313595
3-(4,4,4-Trifluorobutyl)azetidine
CID 67060873
2,2-difluoro-N,4-dimethylpentan-1-amine
CID 84107204
3-(1-Fluoroethyl)azetidine
CID 84647617
3-(2-Fluoroethyl)azetidine
CID 84647618
3-(2-Fluoropropan-2-yl)azetidine
CID 84647743
3-Butan-2-yl-3-fluoroazetidine
CID 89185751

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-3-(2-methylpropyl)azetidine?
The IUPAC name of 3-fluoro-3-(2-methylpropyl)azetidine (CID 112563445) is 3-fluoro-3-(2-methylpropyl)azetidine.
What is the SMILES notation for 3-fluoro-3-(2-methylpropyl)azetidine?
The canonical SMILES for 3-fluoro-3-(2-methylpropyl)azetidine is CC(C)CC1(F)CNC1.
What is the InChIKey of 3-fluoro-3-(2-methylpropyl)azetidine?
The InChIKey is JEIKYEXGKXLSJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14FN/c1-6(2)3-7(8)4-9-5-7/h6,9H,3-5H2,1-2H3.
What are the key properties of 3-fluoro-3-(2-methylpropyl)azetidine?
3-fluoro-3-(2-methylpropyl)azetidine has a molecular weight of 131.19 g/mol, XLogP of 1.34, 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-methylpropyl)azetidine is sourced from PubChem (CID 112563445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).