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

C8H16FN — CID 134505347

IUPAC3-fluoro-1-methyl-3-(2-methylpropyl)azetidine
SMILESCC(C)CC1(F)CN(C)C1
InChIInChI=1S/C8H16FN/c1-7(2)4-8(9)5-10(3)6-8/h7H,4-6H2,1-3H3
InChIKeyDVNCTIRWRVXGJU-UHFFFAOYSA-N
MW145.22 g/mol
LogP1.69
Rot. Bonds2

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

3-fluoro-1-methyl-3-(2-methylpropyl)azetidine (PubChem CID 134505347) has the molecular formula C8H16FN and a molecular weight of 145.22 g/mol. Its IUPAC name is 3-fluoro-1-methyl-3-(2-methylpropyl)azetidine.

Molecular Properties

Compound Name3-fluoro-1-methyl-3-(2-methylpropyl)azetidine
PubChem CID134505347
Molecular FormulaC8H16FN
Molecular Weight145.22 g/mol
Exact Mass145.13
IUPAC Name3-fluoro-1-methyl-3-(2-methylpropyl)azetidine
SMILESCC(C)CC1(F)CN(C)C1
InChIInChI=1S/C8H16FN/c1-7(2)4-8(9)5-10(3)6-8/h7H,4-6H2,1-3H3
InChIKeyDVNCTIRWRVXGJU-UHFFFAOYSA-N
XLogP1.69
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.22
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-1-methyl-3-(2-methylpropyl)azetidine?
The IUPAC name of 3-fluoro-1-methyl-3-(2-methylpropyl)azetidine (CID 134505347) is 3-fluoro-1-methyl-3-(2-methylpropyl)azetidine.
What is the SMILES notation for 3-fluoro-1-methyl-3-(2-methylpropyl)azetidine?
The canonical SMILES for 3-fluoro-1-methyl-3-(2-methylpropyl)azetidine is CC(C)CC1(F)CN(C)C1.
What is the InChIKey of 3-fluoro-1-methyl-3-(2-methylpropyl)azetidine?
The InChIKey is DVNCTIRWRVXGJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16FN/c1-7(2)4-8(9)5-10(3)6-8/h7H,4-6H2,1-3H3.
What are the key properties of 3-fluoro-1-methyl-3-(2-methylpropyl)azetidine?
3-fluoro-1-methyl-3-(2-methylpropyl)azetidine has a molecular weight of 145.22 g/mol, XLogP of 1.69, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-1-methyl-3-(2-methylpropyl)azetidine is sourced from PubChem (CID 134505347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).