3-fluoro-1-[2-(4-methylphenoxy)ethyl]azetidine

C12H16FNO — CID 176701641

IUPAC3-fluoro-1-[2-(4-methylphenoxy)ethyl]azetidine
SMILESCc1ccc(OCCN2CC(F)C2)cc1
InChIInChI=1S/C12H16FNO/c1-10-2-4-12(5-3-10)15-7-6-14-8-11(13)9-14/h2-5,11H,6-9H2,1H3
InChIKeyCNJNWSOSOMBUTO-UHFFFAOYSA-N
MW209.26 g/mol
LogP2.03
Rot. Bonds4

About 3-fluoro-1-[2-(4-methylphenoxy)ethyl]azetidine

3-fluoro-1-[2-(4-methylphenoxy)ethyl]azetidine (PubChem CID 176701641) has the molecular formula C12H16FNO and a molecular weight of 209.26 g/mol. Its IUPAC name is 3-fluoro-1-[2-(4-methylphenoxy)ethyl]azetidine.

Molecular Properties

Compound Name3-fluoro-1-[2-(4-methylphenoxy)ethyl]azetidine
PubChem CID176701641
Molecular FormulaC12H16FNO
Molecular Weight209.26 g/mol
Exact Mass209.12
IUPAC Name3-fluoro-1-[2-(4-methylphenoxy)ethyl]azetidine
SMILESCc1ccc(OCCN2CC(F)C2)cc1
InChIInChI=1S/C12H16FNO/c1-10-2-4-12(5-3-10)15-7-6-14-8-11(13)9-14/h2-5,11H,6-9H2,1H3
InChIKeyCNJNWSOSOMBUTO-UHFFFAOYSA-N
XLogP2.03
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.26
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3S,4S)-4-methyl-1-[2-(4-methylphenoxy)ethyl]pyrrolidine-3-carboxylic acid
CID 98534348
4-fluoro-4-methyl-1-[2-(4-methylphenoxy)ethyl]piperidine
CID 59343379
methane;4-[2-(4-methylphenoxy)ethyl]morpholine
CID 162149342
(3S,5S)-3,5-dimethyl-1-[3-[4-(4-methylphenyl)phenoxy]propyl]piperidine
CID 11979093
N,N-dimethyl-2-[4-[2-(4-methylphenoxy)ethyl]piperazin-1-yl]ethanamine
CID 118464703
(3R)-3-fluoro-1-[2-(4-phenoxyphenoxy)ethyl]pyrrolidine
CID 178065004
1-(azetidin-3-yl)-4-[2-(4-methylphenoxy)ethyl]piperazine
CID 66203150
2,4-dimethyl-1-[2-(4-methylphenoxy)ethyl]pyrrolidine
CID 142818530
(2R,6R)-4-[2-(4-fluorophenoxy)ethyl]-2,6-dimethylmorpholine
CID 888238
1-[2-(4-methylphenoxy)ethyl]-1,4-diazepane
CID 43162601
1-[2-(4-methylphenoxy)ethyl]pyrrole
CID 70911125
1-[2-[4-(methoxymethoxy)phenoxy]ethyl]azetidin-3-ol
CID 15575129

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-1-[2-(4-methylphenoxy)ethyl]azetidine?
The IUPAC name of 3-fluoro-1-[2-(4-methylphenoxy)ethyl]azetidine (CID 176701641) is 3-fluoro-1-[2-(4-methylphenoxy)ethyl]azetidine.
What is the SMILES notation for 3-fluoro-1-[2-(4-methylphenoxy)ethyl]azetidine?
The canonical SMILES for 3-fluoro-1-[2-(4-methylphenoxy)ethyl]azetidine is Cc1ccc(OCCN2CC(F)C2)cc1.
What is the InChIKey of 3-fluoro-1-[2-(4-methylphenoxy)ethyl]azetidine?
The InChIKey is CNJNWSOSOMBUTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNO/c1-10-2-4-12(5-3-10)15-7-6-14-8-11(13)9-14/h2-5,11H,6-9H2,1H3.
What are the key properties of 3-fluoro-1-[2-(4-methylphenoxy)ethyl]azetidine?
3-fluoro-1-[2-(4-methylphenoxy)ethyl]azetidine has a molecular weight of 209.26 g/mol, XLogP of 2.03, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-1-[2-(4-methylphenoxy)ethyl]azetidine is sourced from PubChem (CID 176701641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).