3,3-dichloro-1-cyclohexyl-2-(4-fluorophenyl)azetidine

C15H18Cl2FN — CID 135050209

IUPAC3,3-dichloro-1-cyclohexyl-2-(4-fluorophenyl)azetidine
SMILESFc1ccc(C2N(C3CCCCC3)CC2(Cl)Cl)cc1
InChIInChI=1S/C15H18Cl2FN/c16-15(17)10-19(13-4-2-1-3-5-13)14(15)11-6-8-12(18)9-7-11/h6-9,13-14H,1-5,10H2
InChIKeyMCMFETILYCRFMO-UHFFFAOYSA-N
MW302.22 g/mol
LogP4.69
Rot. Bonds2

About 3,3-dichloro-1-cyclohexyl-2-(4-fluorophenyl)azetidine

3,3-dichloro-1-cyclohexyl-2-(4-fluorophenyl)azetidine (PubChem CID 135050209) has the molecular formula C15H18Cl2FN and a molecular weight of 302.22 g/mol. Its IUPAC name is 3,3-dichloro-1-cyclohexyl-2-(4-fluorophenyl)azetidine.

Molecular Properties

Compound Name3,3-dichloro-1-cyclohexyl-2-(4-fluorophenyl)azetidine
PubChem CID135050209
Molecular FormulaC15H18Cl2FN
Molecular Weight302.22 g/mol
Exact Mass301.08
IUPAC Name3,3-dichloro-1-cyclohexyl-2-(4-fluorophenyl)azetidine
SMILESFc1ccc(C2N(C3CCCCC3)CC2(Cl)Cl)cc1
InChIInChI=1S/C15H18Cl2FN/c16-15(17)10-19(13-4-2-1-3-5-13)14(15)11-6-8-12(18)9-7-11/h6-9,13-14H,1-5,10H2
InChIKeyMCMFETILYCRFMO-UHFFFAOYSA-N
XLogP4.69
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.22
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(3R,8aR)-3-[4-(4-fluorophenyl)phenyl]-1,2,3,5,6,7,8,8a-octahydroindolizine
CID 59036186
1-cycloheptyl-4-cyclopentyl-3-(4-fluorophenyl)piperazine-2,5-dione
CID 4186128
1-cycloheptyl-4-cyclooctyl-3-(4-fluorophenyl)piperazine-2,5-dione
CID 5064257
1-cyclohexyl-4-cyclopentyl-3-(4-fluorophenyl)piperazine-2,5-dione
CID 3553510
1-cycloheptyl-4-cyclohexyl-3-(4-fluorophenyl)piperazine-2,5-dione
CID 3287146
1-cyclobutyl-5-(4-fluorophenyl)-1,3-diazinane-2,4,6-trione
CID 115948037
3-cyclopentyl-2-(4-fluorophenyl)-5-methylimidazolidin-4-one
CID 83241955
(4S)-1-cyclopentyl-4-(4-fluorophenyl)-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridine-3,6-dione
CID 95706177
1-cycloheptyl-4-(4-fluorophenyl)-4,8-dihydro-2H-pyrazolo[3,4-e][1,4]thiazepine-3,7-dione
CID 3647570
1-[cyclohexyl-(4-fluorophenyl)phosphoryl]-4-fluorobenzene
CID 178181669
3-cyclohexyl-2-(4-fluorophenyl)-5-hydroxy-1,2-dihydropyrimidin-4-one
CID 70978871
1-fluoro-4-[4-(4-fluorophenyl)cyclohexyl]benzene
CID 122631633

Frequently Asked Questions

What is the IUPAC name of 3,3-dichloro-1-cyclohexyl-2-(4-fluorophenyl)azetidine?
The IUPAC name of 3,3-dichloro-1-cyclohexyl-2-(4-fluorophenyl)azetidine (CID 135050209) is 3,3-dichloro-1-cyclohexyl-2-(4-fluorophenyl)azetidine.
What is the SMILES notation for 3,3-dichloro-1-cyclohexyl-2-(4-fluorophenyl)azetidine?
The canonical SMILES for 3,3-dichloro-1-cyclohexyl-2-(4-fluorophenyl)azetidine is Fc1ccc(C2N(C3CCCCC3)CC2(Cl)Cl)cc1.
What is the InChIKey of 3,3-dichloro-1-cyclohexyl-2-(4-fluorophenyl)azetidine?
The InChIKey is MCMFETILYCRFMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18Cl2FN/c16-15(17)10-19(13-4-2-1-3-5-13)14(15)11-6-8-12(18)9-7-11/h6-9,13-14H,1-5,10H2.
What are the key properties of 3,3-dichloro-1-cyclohexyl-2-(4-fluorophenyl)azetidine?
3,3-dichloro-1-cyclohexyl-2-(4-fluorophenyl)azetidine has a molecular weight of 302.22 g/mol, XLogP of 4.69, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dichloro-1-cyclohexyl-2-(4-fluorophenyl)azetidine is sourced from PubChem (CID 135050209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).