3-[(4-ethoxy-3-fluorophenyl)methyl]azetidine

C12H16FNO — CID 82283901

IUPAC3-[(4-ethoxy-3-fluorophenyl)methyl]azetidine
SMILESCCOc1ccc(CC2CNC2)cc1F
InChIInChI=1S/C12H16FNO/c1-2-15-12-4-3-9(6-11(12)13)5-10-7-14-8-10/h3-4,6,10,14H,2,5,7-8H2,1H3
InChIKeyKQULTJMZSNLBGG-UHFFFAOYSA-N
MW209.26 g/mol
LogP1.99
Rot. Bonds4

About 3-[(4-ethoxy-3-fluorophenyl)methyl]azetidine

3-[(4-ethoxy-3-fluorophenyl)methyl]azetidine (PubChem CID 82283901) has the molecular formula C12H16FNO and a molecular weight of 209.26 g/mol. Its IUPAC name is 3-[(4-ethoxy-3-fluorophenyl)methyl]azetidine.

Molecular Properties

Compound Name3-[(4-ethoxy-3-fluorophenyl)methyl]azetidine
PubChem CID82283901
Molecular FormulaC12H16FNO
Molecular Weight209.26 g/mol
Exact Mass209.12
IUPAC Name3-[(4-ethoxy-3-fluorophenyl)methyl]azetidine
SMILESCCOc1ccc(CC2CNC2)cc1F
InChIInChI=1S/C12H16FNO/c1-2-15-12-4-3-9(6-11(12)13)5-10-7-14-8-10/h3-4,6,10,14H,2,5,7-8H2,1H3
InChIKeyKQULTJMZSNLBGG-UHFFFAOYSA-N
XLogP1.99
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.26
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(4-ethoxy-3-fluorophenyl)methyl]piperidine
CID 82291965
3-[(3-fluoro-4-methylphenyl)methyl]azetidine
CID 63647017
N-[(4-ethoxy-3-fluorophenyl)methyl]pyrrolidin-3-amine
CID 115118835
5,6,7-triethoxy-3-[(4-ethoxy-3-fluorophenyl)methyl]-3,4-dihydro-2H-chromene
CID 155755683
1-[3-(4-ethoxy-3-fluorophenyl)propyl]piperazine
CID 95471785
3-[(3-bromo-4-methoxyphenyl)methyl]azetidine
CID 79452527
(3S)-1-[(4-ethoxy-3-fluorophenyl)methyl]pyrrolidin-3-amine
CID 120836290
1-ethoxy-2-fluoro-4-iodobenzene
CID 50998221
1-(4-ethoxy-3-fluorophenyl)propan-2-one
CID 82491351
4-(3-bromopropyl)-1-ethoxy-2-fluorobenzene
CID 118847164
[1-[(4-ethoxy-3-fluorophenyl)methyl]pyrrolidin-3-yl]methanamine
CID 120837699
4-but-3-enyl-1-ethoxy-2-fluorobenzene
CID 58719105

Frequently Asked Questions

What is the IUPAC name of 3-[(4-ethoxy-3-fluorophenyl)methyl]azetidine?
The IUPAC name of 3-[(4-ethoxy-3-fluorophenyl)methyl]azetidine (CID 82283901) is 3-[(4-ethoxy-3-fluorophenyl)methyl]azetidine.
What is the SMILES notation for 3-[(4-ethoxy-3-fluorophenyl)methyl]azetidine?
The canonical SMILES for 3-[(4-ethoxy-3-fluorophenyl)methyl]azetidine is CCOc1ccc(CC2CNC2)cc1F.
What is the InChIKey of 3-[(4-ethoxy-3-fluorophenyl)methyl]azetidine?
The InChIKey is KQULTJMZSNLBGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNO/c1-2-15-12-4-3-9(6-11(12)13)5-10-7-14-8-10/h3-4,6,10,14H,2,5,7-8H2,1H3.
What are the key properties of 3-[(4-ethoxy-3-fluorophenyl)methyl]azetidine?
3-[(4-ethoxy-3-fluorophenyl)methyl]azetidine has a molecular weight of 209.26 g/mol, XLogP of 1.99, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-ethoxy-3-fluorophenyl)methyl]azetidine is sourced from PubChem (CID 82283901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).