3-fluoro-1-(2-methylpropyl)azetidine

C7H14FN — CID 118261158

IUPAC3-fluoro-1-(2-methylpropyl)azetidine
SMILESCC(C)CN1CC(F)C1
InChIInChI=1S/C7H14FN/c1-6(2)3-9-4-7(8)5-9/h6-7H,3-5H2,1-2H3
InChIKeyXZSACAKNVGXAFJ-UHFFFAOYSA-N
MW131.19 g/mol
LogP1.30
Rot. Bonds2

About 3-fluoro-1-(2-methylpropyl)azetidine

3-fluoro-1-(2-methylpropyl)azetidine (PubChem CID 118261158) has the molecular formula C7H14FN and a molecular weight of 131.19 g/mol. Its IUPAC name is 3-fluoro-1-(2-methylpropyl)azetidine.

Molecular Properties

Compound Name3-fluoro-1-(2-methylpropyl)azetidine
PubChem CID118261158
Molecular FormulaC7H14FN
Molecular Weight131.19 g/mol
Exact Mass131.11
IUPAC Name3-fluoro-1-(2-methylpropyl)azetidine
SMILESCC(C)CN1CC(F)C1
InChIInChI=1S/C7H14FN/c1-6(2)3-9-4-7(8)5-9/h6-7H,3-5H2,1-2H3
InChIKeyXZSACAKNVGXAFJ-UHFFFAOYSA-N
XLogP1.30
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.19
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1,3-Dimethylazetidine
CID 535545
1-Isopropyl-3-methylazetidine
CID 287985
1-(2-Methylpropyl)azetidine
CID 23432809
1-(2,2-Dimethylpropyl)-3-fluoro-3-methylazetidine
CID 16083940
3-Methyl-1-(3,3,3-trifluoropropyl)azetidine
CID 57537414
1-(tert-Butyl)-3-fluoroazetidine
CID 57559167
1-(2,2-Dimethylpropyl)-3-fluoroazetidine
CID 57910765
3-Fluoro-1-propan-2-ylazetidine
CID 58030274
3-Fluoro-3-methyl-1-propan-2-ylazetidine
CID 58547266
3-Fluoro-1-methylazetidine
CID 59504989
3,3-Difluoro-1-(2-methylpropyl)azetidine
CID 59569193
1-Ethyl-3,3-difluoroazetidine
CID 59626753

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-1-(2-methylpropyl)azetidine?
The IUPAC name of 3-fluoro-1-(2-methylpropyl)azetidine (CID 118261158) is 3-fluoro-1-(2-methylpropyl)azetidine.
What is the SMILES notation for 3-fluoro-1-(2-methylpropyl)azetidine?
The canonical SMILES for 3-fluoro-1-(2-methylpropyl)azetidine is CC(C)CN1CC(F)C1.
What is the InChIKey of 3-fluoro-1-(2-methylpropyl)azetidine?
The InChIKey is XZSACAKNVGXAFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14FN/c1-6(2)3-9-4-7(8)5-9/h6-7H,3-5H2,1-2H3.
What are the key properties of 3-fluoro-1-(2-methylpropyl)azetidine?
3-fluoro-1-(2-methylpropyl)azetidine has a molecular weight of 131.19 g/mol, XLogP of 1.30, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-1-(2-methylpropyl)azetidine is sourced from PubChem (CID 118261158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).