3-(4-cyclopropyl-2-fluorophenoxy)azetidine;ethane;(3Z)-penta-1,3-diene

C21H34FNO — CID 166084278

IUPAC3-(4-cyclopropyl-2-fluorophenoxy)azetidine;ethane;(3Z)-penta-1,3-diene
SMILESC=C/C=C\C.CC.CC.Fc1cc(C2CC2)ccc1OC1CNC1
InChIInChI=1S/C12H14FNO.C5H8.2C2H6/c13-11-5-9(8-1-2-8)3-4-12(11)15-10-6-14-7-10;1-3-5-4-2;2*1-2/h3-5,8,10,14H,1-2,6-7H2;3-5H,1H2,2H3;2*1-2H3/b;5-4-;;
InChIKeyBEZIHEUOQIUBRG-ZGVDEOGJSA-N
MW335.51 g/mol
LogP5.85
Rot. Bonds4

About 3-(4-cyclopropyl-2-fluorophenoxy)azetidine;ethane;(3Z)-penta-1,3-diene

3-(4-cyclopropyl-2-fluorophenoxy)azetidine;ethane;(3Z)-penta-1,3-diene (PubChem CID 166084278) has the molecular formula C21H34FNO and a molecular weight of 335.51 g/mol. Its IUPAC name is 3-(4-cyclopropyl-2-fluorophenoxy)azetidine;ethane;(3Z)-penta-1,3-diene.

Molecular Properties

Compound Name3-(4-cyclopropyl-2-fluorophenoxy)azetidine;ethane;(3Z)-penta-1,3-diene
PubChem CID166084278
Molecular FormulaC21H34FNO
Molecular Weight335.51 g/mol
Exact Mass335.26
IUPAC Name3-(4-cyclopropyl-2-fluorophenoxy)azetidine;ethane;(3Z)-penta-1,3-diene
SMILESC=C/C=C\C.CC.CC.Fc1cc(C2CC2)ccc1OC1CNC1
InChIInChI=1S/C12H14FNO.C5H8.2C2H6/c13-11-5-9(8-1-2-8)3-4-12(11)15-10-6-14-7-10;1-3-5-4-2;2*1-2/h3-5,8,10,14H,1-2,6-7H2;3-5H,1H2,2H3;2*1-2H3/b;5-4-;;
InChIKeyBEZIHEUOQIUBRG-ZGVDEOGJSA-N
XLogP5.85
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500335.51
LogP ≤ 55.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze 3-(4-cyclopropyl-2-fluorophenoxy)azetidine;ethane;(3Z)-penta-1,3-diene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-fluoro-4-(4-methoxycyclohexyl)-1-[(E)-prop-1-enoxy]benzene
CID 144809408
3-(3-fluoro-4-methoxyphenyl)azetidine
CID 82280860
4-(4-ethenylcyclohexyl)-1-ethoxy-2-fluorobenzene
CID 71422813
2-fluoro-4-(4-methylcyclohexyl)-1-(trifluoromethoxy)benzene
CID 20591351
1,2-difluoro-4-(4-methoxycyclohexyl)benzene
CID 144809444
2-fluoro-4-[4-(4-hexa-3,5-dienylcyclohexyl)cyclohexyl]-1-(trifluoromethoxy)benzene
CID 54105298
1-[4-(4-ethoxy-3-fluorophenyl)cyclohexyl]-2,3-difluoro-4-(4-prop-1-enylcyclohexyl)benzene
CID 77469245
4-cyclopropyl-2-fluoro-1-methylbenzene;ethane
CID 177038852
2-fluoro-1-(fluoromethoxy)-4-[4-(4-methylcyclohexyl)cyclohexyl]benzene;fluoroform
CID 157103030
2-fluoro-4-[4-(4-fluorocyclohexyl)cyclohexyl]-1-methoxybenzene
CID 18344262
1-[4-(4-but-3-enoxy-3-fluorophenyl)cyclohexyl]-4-(4-ethoxycyclohexyl)-2,3-difluorobenzene
CID 89429493
3-(2-fluoro-4-methoxyphenoxy)piperidine
CID 84689805

Frequently Asked Questions

What is the IUPAC name of 3-(4-cyclopropyl-2-fluorophenoxy)azetidine;ethane;(3Z)-penta-1,3-diene?
The IUPAC name of 3-(4-cyclopropyl-2-fluorophenoxy)azetidine;ethane;(3Z)-penta-1,3-diene (CID 166084278) is 3-(4-cyclopropyl-2-fluorophenoxy)azetidine;ethane;(3Z)-penta-1,3-diene.
What is the SMILES notation for 3-(4-cyclopropyl-2-fluorophenoxy)azetidine;ethane;(3Z)-penta-1,3-diene?
The canonical SMILES for 3-(4-cyclopropyl-2-fluorophenoxy)azetidine;ethane;(3Z)-penta-1,3-diene is C=C/C=C\C.CC.CC.Fc1cc(C2CC2)ccc1OC1CNC1.
What is the InChIKey of 3-(4-cyclopropyl-2-fluorophenoxy)azetidine;ethane;(3Z)-penta-1,3-diene?
The InChIKey is BEZIHEUOQIUBRG-ZGVDEOGJSA-N. The full InChI is InChI=1S/C12H14FNO.C5H8.2C2H6/c13-11-5-9(8-1-2-8)3-4-12(11)15-10-6-14-7-10;1-3-5-4-2;2*1-2/h3-5,8,10,14H,1-2,6-7H2;3-5H,1H2,2H3;2*1-2H3/b;5-4-;;.
What are the key properties of 3-(4-cyclopropyl-2-fluorophenoxy)azetidine;ethane;(3Z)-penta-1,3-diene?
3-(4-cyclopropyl-2-fluorophenoxy)azetidine;ethane;(3Z)-penta-1,3-diene has a molecular weight of 335.51 g/mol, XLogP of 5.85, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-cyclopropyl-2-fluorophenoxy)azetidine;ethane;(3Z)-penta-1,3-diene is sourced from PubChem (CID 166084278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).