3-fluoro-1-(3-methylcyclopentyl)azetidine

C9H16FN — CID 123353317

IUPAC3-fluoro-1-(3-methylcyclopentyl)azetidine
SMILESCC1CCC(N2CC(F)C2)C1
InChIInChI=1S/C9H16FN/c1-7-2-3-9(4-7)11-5-8(10)6-11/h7-9H,2-6H2,1H3
InChIKeyPMHMODCRFOEADM-UHFFFAOYSA-N
MW157.23 g/mol
LogP1.83
Rot. Bonds1

About 3-fluoro-1-(3-methylcyclopentyl)azetidine

3-fluoro-1-(3-methylcyclopentyl)azetidine (PubChem CID 123353317) has the molecular formula C9H16FN and a molecular weight of 157.23 g/mol. Its IUPAC name is 3-fluoro-1-(3-methylcyclopentyl)azetidine.

Molecular Properties

Compound Name3-fluoro-1-(3-methylcyclopentyl)azetidine
PubChem CID123353317
Molecular FormulaC9H16FN
Molecular Weight157.23 g/mol
Exact Mass157.13
IUPAC Name3-fluoro-1-(3-methylcyclopentyl)azetidine
SMILESCC1CCC(N2CC(F)C2)C1
InChIInChI=1S/C9H16FN/c1-7-2-3-9(4-7)11-5-8(10)6-11/h7-9H,2-6H2,1H3
InChIKeyPMHMODCRFOEADM-UHFFFAOYSA-N
XLogP1.83
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.23
LogP ≤ 51.83
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-methylcyclopentyl)azetidine?
The IUPAC name of 3-fluoro-1-(3-methylcyclopentyl)azetidine (CID 123353317) is 3-fluoro-1-(3-methylcyclopentyl)azetidine.
What is the SMILES notation for 3-fluoro-1-(3-methylcyclopentyl)azetidine?
The canonical SMILES for 3-fluoro-1-(3-methylcyclopentyl)azetidine is CC1CCC(N2CC(F)C2)C1.
What is the InChIKey of 3-fluoro-1-(3-methylcyclopentyl)azetidine?
The InChIKey is PMHMODCRFOEADM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16FN/c1-7-2-3-9(4-7)11-5-8(10)6-11/h7-9H,2-6H2,1H3.
What are the key properties of 3-fluoro-1-(3-methylcyclopentyl)azetidine?
3-fluoro-1-(3-methylcyclopentyl)azetidine has a molecular weight of 157.23 g/mol, XLogP of 1.83, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-1-(3-methylcyclopentyl)azetidine is sourced from PubChem (CID 123353317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).