3-fluoro-1-(4-propan-2-yloxycycloheptyl)azetidine

C13H24FNO — CID 163258298

IUPAC3-fluoro-1-(4-propan-2-yloxycycloheptyl)azetidine
SMILESCC(C)OC1CCCC(N2CC(F)C2)CC1
InChIInChI=1S/C13H24FNO/c1-10(2)16-13-5-3-4-12(6-7-13)15-8-11(14)9-15/h10-13H,3-9H2,1-2H3
InChIKeyAFGUGUROPYAJTG-UHFFFAOYSA-N
MW229.34 g/mol
LogP2.77
Rot. Bonds3

About 3-fluoro-1-(4-propan-2-yloxycycloheptyl)azetidine

3-fluoro-1-(4-propan-2-yloxycycloheptyl)azetidine (PubChem CID 163258298) has the molecular formula C13H24FNO and a molecular weight of 229.34 g/mol. Its IUPAC name is 3-fluoro-1-(4-propan-2-yloxycycloheptyl)azetidine.

Molecular Properties

Compound Name3-fluoro-1-(4-propan-2-yloxycycloheptyl)azetidine
PubChem CID163258298
Molecular FormulaC13H24FNO
Molecular Weight229.34 g/mol
Exact Mass229.18
IUPAC Name3-fluoro-1-(4-propan-2-yloxycycloheptyl)azetidine
SMILESCC(C)OC1CCCC(N2CC(F)C2)CC1
InChIInChI=1S/C13H24FNO/c1-10(2)16-13-5-3-4-12(6-7-13)15-8-11(14)9-15/h10-13H,3-9H2,1-2H3
InChIKeyAFGUGUROPYAJTG-UHFFFAOYSA-N
XLogP2.77
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.34
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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1-(4-propan-2-yloxycyclohexyl)pyrrole-2,5-dione
CID 140609910
1-(4-propan-2-yloxycyclohexyl)ethylphosphane
CID 71124191
4-fluoro-1-(4-propan-2-ylcyclohexyl)piperidine
CID 58386347
3-fluoro-1-(3-methylcyclopentyl)azetidine
CID 123353317
1-cyclohexyl-3,4-difluoropyrrolidine
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1-cyclobutyl-3-(difluoromethoxy)pyrrolidine
CID 130874922

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-1-(4-propan-2-yloxycycloheptyl)azetidine?
The IUPAC name of 3-fluoro-1-(4-propan-2-yloxycycloheptyl)azetidine (CID 163258298) is 3-fluoro-1-(4-propan-2-yloxycycloheptyl)azetidine.
What is the SMILES notation for 3-fluoro-1-(4-propan-2-yloxycycloheptyl)azetidine?
The canonical SMILES for 3-fluoro-1-(4-propan-2-yloxycycloheptyl)azetidine is CC(C)OC1CCCC(N2CC(F)C2)CC1.
What is the InChIKey of 3-fluoro-1-(4-propan-2-yloxycycloheptyl)azetidine?
The InChIKey is AFGUGUROPYAJTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24FNO/c1-10(2)16-13-5-3-4-12(6-7-13)15-8-11(14)9-15/h10-13H,3-9H2,1-2H3.
What are the key properties of 3-fluoro-1-(4-propan-2-yloxycycloheptyl)azetidine?
3-fluoro-1-(4-propan-2-yloxycycloheptyl)azetidine has a molecular weight of 229.34 g/mol, XLogP of 2.77, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-1-(4-propan-2-yloxycycloheptyl)azetidine is sourced from PubChem (CID 163258298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).