3-fluoro-3-(2-methylhexyl)azetidine

C10H20FN — CID 155094729

IUPAC3-fluoro-3-(2-methylhexyl)azetidine
SMILESCCCCC(C)CC1(F)CNC1
InChIInChI=1S/C10H20FN/c1-3-4-5-9(2)6-10(11)7-12-8-10/h9,12H,3-8H2,1-2H3
InChIKeyIYMYQZNARXGSBP-UHFFFAOYSA-N
MW173.27 g/mol
LogP2.51
Rot. Bonds5

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

3-fluoro-3-(2-methylhexyl)azetidine (PubChem CID 155094729) has the molecular formula C10H20FN and a molecular weight of 173.27 g/mol. Its IUPAC name is 3-fluoro-3-(2-methylhexyl)azetidine.

Molecular Properties

Compound Name3-fluoro-3-(2-methylhexyl)azetidine
PubChem CID155094729
Molecular FormulaC10H20FN
Molecular Weight173.27 g/mol
Exact Mass173.16
IUPAC Name3-fluoro-3-(2-methylhexyl)azetidine
SMILESCCCCC(C)CC1(F)CNC1
InChIInChI=1S/C10H20FN/c1-3-4-5-9(2)6-10(11)7-12-8-10/h9,12H,3-8H2,1-2H3
InChIKeyIYMYQZNARXGSBP-UHFFFAOYSA-N
XLogP2.51
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.27
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-butyl-3-fluoroazetidine
CID 112563312
calcium;hydride;3-methylheptane
CID 174879723
1-ethyl-2-methyl-1-(2-methylhexyl)cyclobutane
CID 123200605
5,11-dimethylheptacosane
CID 6430065
5-methylicosane
CID 527472
5,13,19-trimethylheptatriacontane
CID 172565409
5,23-dimethyltritriacontane
CID 71339926
5-methyloctatriacontane
CID 527416
(5S)-5-methylnonadecane
CID 170848384
5,17-dimethylnonacosane
CID 56936184
5,15-dimethylpentatriacontane
CID 6430641
5,9,17-trimethylhenicosane
CID 123913465

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-3-(2-methylhexyl)azetidine?
The IUPAC name of 3-fluoro-3-(2-methylhexyl)azetidine (CID 155094729) is 3-fluoro-3-(2-methylhexyl)azetidine.
What is the SMILES notation for 3-fluoro-3-(2-methylhexyl)azetidine?
The canonical SMILES for 3-fluoro-3-(2-methylhexyl)azetidine is CCCCC(C)CC1(F)CNC1.
What is the InChIKey of 3-fluoro-3-(2-methylhexyl)azetidine?
The InChIKey is IYMYQZNARXGSBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20FN/c1-3-4-5-9(2)6-10(11)7-12-8-10/h9,12H,3-8H2,1-2H3.
What are the key properties of 3-fluoro-3-(2-methylhexyl)azetidine?
3-fluoro-3-(2-methylhexyl)azetidine has a molecular weight of 173.27 g/mol, XLogP of 2.51, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-3-(2-methylhexyl)azetidine is sourced from PubChem (CID 155094729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).