3-fluoro-1-(5-methylhexan-3-yl)azetidine

C10H20FN — CID 123908598

IUPAC3-fluoro-1-(5-methylhexan-3-yl)azetidine
SMILESCCC(CC(C)C)N1CC(F)C1
InChIInChI=1S/C10H20FN/c1-4-10(5-8(2)3)12-6-9(11)7-12/h8-10H,4-7H2,1-3H3
InChIKeyVERRVFAIEYVZHE-UHFFFAOYSA-N
MW173.28 g/mol
LogP2.46
Rot. Bonds4

About 3-fluoro-1-(5-methylhexan-3-yl)azetidine

3-fluoro-1-(5-methylhexan-3-yl)azetidine (PubChem CID 123908598) has the molecular formula C10H20FN and a molecular weight of 173.28 g/mol. Its IUPAC name is 3-fluoro-1-(5-methylhexan-3-yl)azetidine.

Molecular Properties

Compound Name3-fluoro-1-(5-methylhexan-3-yl)azetidine
PubChem CID123908598
Molecular FormulaC10H20FN
Molecular Weight173.28 g/mol
Exact Mass173.16
IUPAC Name3-fluoro-1-(5-methylhexan-3-yl)azetidine
SMILESCCC(CC(C)C)N1CC(F)C1
InChIInChI=1S/C10H20FN/c1-4-10(5-8(2)3)12-6-9(11)7-12/h8-10H,4-7H2,1-3H3
InChIKeyVERRVFAIEYVZHE-UHFFFAOYSA-N
XLogP2.46
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.28
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-Fluoro-1-(5-methylhexyl)azetidine
CID 57979613
3-Cyclopropyl-3-fluoro-1-propan-2-ylazetidine
CID 59412168
1-Butan-2-yl-3-cyclopropyl-3-fluoroazetidine
CID 68166629
3-Fluoro-1-(3-methylbutyl)azetidine
CID 89027264
1-(1-Fluoropropan-2-yl)-3-propan-2-ylazetidine
CID 89425128
3-(1-Fluoroethyl)-1-propan-2-ylazetidine
CID 117804153
3-Fluoro-1-(4-methylpentyl)azetidine
CID 118000458
3-Fluoro-1-(3-methylcyclopentyl)azetidine
CID 123353317
3-Fluoro-1-heptan-4-ylazetidine
CID 123397834
N-(2-fluoroethyl)-N,2-dimethylpentan-3-amine
CID 123703631
3-Fluoro-1-pentan-2-ylazetidine
CID 126993950
3-Fluoro-1-(3-methylbutan-2-yl)azetidine
CID 130737663

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-1-(5-methylhexan-3-yl)azetidine?
The IUPAC name of 3-fluoro-1-(5-methylhexan-3-yl)azetidine (CID 123908598) is 3-fluoro-1-(5-methylhexan-3-yl)azetidine.
What is the SMILES notation for 3-fluoro-1-(5-methylhexan-3-yl)azetidine?
The canonical SMILES for 3-fluoro-1-(5-methylhexan-3-yl)azetidine is CCC(CC(C)C)N1CC(F)C1.
What is the InChIKey of 3-fluoro-1-(5-methylhexan-3-yl)azetidine?
The InChIKey is VERRVFAIEYVZHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20FN/c1-4-10(5-8(2)3)12-6-9(11)7-12/h8-10H,4-7H2,1-3H3.
What are the key properties of 3-fluoro-1-(5-methylhexan-3-yl)azetidine?
3-fluoro-1-(5-methylhexan-3-yl)azetidine has a molecular weight of 173.28 g/mol, XLogP of 2.46, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-1-(5-methylhexan-3-yl)azetidine is sourced from PubChem (CID 123908598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).