3-(2-fluorophenoxy)-1-(3-methoxycyclohexyl)azetidine

C16H22FNO2 — CID 163258466

IUPAC3-(2-fluorophenoxy)-1-(3-methoxycyclohexyl)azetidine
SMILESCOC1CCCC(N2CC(Oc3ccccc3F)C2)C1
InChIInChI=1S/C16H22FNO2/c1-19-13-6-4-5-12(9-13)18-10-14(11-18)20-16-8-3-2-7-15(16)17/h2-3,7-8,12-14H,4-6,9-11H2,1H3
InChIKeyGSJXTXYTFXOCND-UHFFFAOYSA-N
MW279.35 g/mol
LogP2.85
Rot. Bonds4

About 3-(2-fluorophenoxy)-1-(3-methoxycyclohexyl)azetidine

3-(2-fluorophenoxy)-1-(3-methoxycyclohexyl)azetidine (PubChem CID 163258466) has the molecular formula C16H22FNO2 and a molecular weight of 279.35 g/mol. Its IUPAC name is 3-(2-fluorophenoxy)-1-(3-methoxycyclohexyl)azetidine.

Molecular Properties

Compound Name3-(2-fluorophenoxy)-1-(3-methoxycyclohexyl)azetidine
PubChem CID163258466
Molecular FormulaC16H22FNO2
Molecular Weight279.35 g/mol
Exact Mass279.16
IUPAC Name3-(2-fluorophenoxy)-1-(3-methoxycyclohexyl)azetidine
SMILESCOC1CCCC(N2CC(Oc3ccccc3F)C2)C1
InChIInChI=1S/C16H22FNO2/c1-19-13-6-4-5-12(9-13)18-10-14(11-18)20-16-8-3-2-7-15(16)17/h2-3,7-8,12-14H,4-6,9-11H2,1H3
InChIKeyGSJXTXYTFXOCND-UHFFFAOYSA-N
XLogP2.85
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.35
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

O-[3-[3-(2-methoxyphenoxy)azetidin-1-yl]cyclohexyl]hydroxylamine
CID 170319296
3-[3-(2-methoxyphenoxy)azetidin-1-yl]cyclohexan-1-ol
CID 163258410
4-fluoro-1-(3-methoxycyclohexyl)indole
CID 113342463
3-(bromomethyl)-1-(3-methoxycyclohexyl)azetidine
CID 130531234
1-(3-ethoxycyclohexyl)-3-methoxyazetidine
CID 167008529
1-(3-methoxycyclohexyl)oxy-2-propan-2-ylbenzene
CID 64764405
4-fluoro-2-[(1R,3S)-3-methoxycyclohexyl]oxy-1-methylbenzene
CID 90221775
2-(3-methoxycyclohexyl)-3,4-dihydro-1H-isoquinoline-4-carboxylic acid
CID 65260472
3-fluoro-2-(3-methoxycyclohexyl)oxyaniline
CID 104831451
(1S)-1-[2-(3-methoxycyclohexyl)oxyphenyl]ethanol
CID 78958662
(3R)-1-(3-methoxycyclohexyl)pyrrolidin-3-ol
CID 66291270
1-[(1S,3S)-3-methoxycyclohexyl]piperidin-4-one
CID 162083212

Frequently Asked Questions

What is the IUPAC name of 3-(2-fluorophenoxy)-1-(3-methoxycyclohexyl)azetidine?
The IUPAC name of 3-(2-fluorophenoxy)-1-(3-methoxycyclohexyl)azetidine (CID 163258466) is 3-(2-fluorophenoxy)-1-(3-methoxycyclohexyl)azetidine.
What is the SMILES notation for 3-(2-fluorophenoxy)-1-(3-methoxycyclohexyl)azetidine?
The canonical SMILES for 3-(2-fluorophenoxy)-1-(3-methoxycyclohexyl)azetidine is COC1CCCC(N2CC(Oc3ccccc3F)C2)C1.
What is the InChIKey of 3-(2-fluorophenoxy)-1-(3-methoxycyclohexyl)azetidine?
The InChIKey is GSJXTXYTFXOCND-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FNO2/c1-19-13-6-4-5-12(9-13)18-10-14(11-18)20-16-8-3-2-7-15(16)17/h2-3,7-8,12-14H,4-6,9-11H2,1H3.
What are the key properties of 3-(2-fluorophenoxy)-1-(3-methoxycyclohexyl)azetidine?
3-(2-fluorophenoxy)-1-(3-methoxycyclohexyl)azetidine has a molecular weight of 279.35 g/mol, XLogP of 2.85, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluorophenoxy)-1-(3-methoxycyclohexyl)azetidine is sourced from PubChem (CID 163258466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).