3-fluoro-1-[(3-methylcyclobutyl)methyl]azetidine

C9H16FN — CID 123383797

IUPAC3-fluoro-1-[(3-methylcyclobutyl)methyl]azetidine
SMILESCC1CC(CN2CC(F)C2)C1
InChIInChI=1S/C9H16FN/c1-7-2-8(3-7)4-11-5-9(10)6-11/h7-9H,2-6H2,1H3
InChIKeyKHHIEYYDRMEFPY-UHFFFAOYSA-N
MW157.23 g/mol
LogP1.69
Rot. Bonds2

About 3-fluoro-1-[(3-methylcyclobutyl)methyl]azetidine

3-fluoro-1-[(3-methylcyclobutyl)methyl]azetidine (PubChem CID 123383797) has the molecular formula C9H16FN and a molecular weight of 157.23 g/mol. Its IUPAC name is 3-fluoro-1-[(3-methylcyclobutyl)methyl]azetidine.

Molecular Properties

Compound Name3-fluoro-1-[(3-methylcyclobutyl)methyl]azetidine
PubChem CID123383797
Molecular FormulaC9H16FN
Molecular Weight157.23 g/mol
Exact Mass157.13
IUPAC Name3-fluoro-1-[(3-methylcyclobutyl)methyl]azetidine
SMILESCC1CC(CN2CC(F)C2)C1
InChIInChI=1S/C9H16FN/c1-7-2-8(3-7)4-11-5-9(10)6-11/h7-9H,2-6H2,1H3
InChIKeyKHHIEYYDRMEFPY-UHFFFAOYSA-N
XLogP1.69
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.23
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-[(3-methylcyclobutyl)methyl]azetidine?
The IUPAC name of 3-fluoro-1-[(3-methylcyclobutyl)methyl]azetidine (CID 123383797) is 3-fluoro-1-[(3-methylcyclobutyl)methyl]azetidine.
What is the SMILES notation for 3-fluoro-1-[(3-methylcyclobutyl)methyl]azetidine?
The canonical SMILES for 3-fluoro-1-[(3-methylcyclobutyl)methyl]azetidine is CC1CC(CN2CC(F)C2)C1.
What is the InChIKey of 3-fluoro-1-[(3-methylcyclobutyl)methyl]azetidine?
The InChIKey is KHHIEYYDRMEFPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16FN/c1-7-2-8(3-7)4-11-5-9(10)6-11/h7-9H,2-6H2,1H3.
What are the key properties of 3-fluoro-1-[(3-methylcyclobutyl)methyl]azetidine?
3-fluoro-1-[(3-methylcyclobutyl)methyl]azetidine has a molecular weight of 157.23 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-[(3-methylcyclobutyl)methyl]azetidine is sourced from PubChem (CID 123383797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).