3-(3-fluorophenyl)azetidine;heptane;hydrochloride

C16H27ClFN — CID 175294675

IUPAC3-(3-fluorophenyl)azetidine;heptane;hydrochloride
SMILESCCCCCCC.Cl.Fc1cccc(C2CNC2)c1
InChIInChI=1S/C9H10FN.C7H16.ClH/c10-9-3-1-2-7(4-9)8-5-11-6-8;1-3-5-7-6-4-2;/h1-4,8,11H,5-6H2;3-7H2,1-2H3;1H
InChIKeyXKTJJUBWDMDQJP-UHFFFAOYSA-N
MW287.85 g/mol
LogP4.91
Rot. Bonds5

About 3-(3-fluorophenyl)azetidine;heptane;hydrochloride

3-(3-fluorophenyl)azetidine;heptane;hydrochloride (PubChem CID 175294675) has the molecular formula C16H27ClFN and a molecular weight of 287.85 g/mol. Its IUPAC name is 3-(3-fluorophenyl)azetidine;heptane;hydrochloride.

Molecular Properties

Compound Name3-(3-fluorophenyl)azetidine;heptane;hydrochloride
PubChem CID175294675
Molecular FormulaC16H27ClFN
Molecular Weight287.85 g/mol
Exact Mass287.18
IUPAC Name3-(3-fluorophenyl)azetidine;heptane;hydrochloride
SMILESCCCCCCC.Cl.Fc1cccc(C2CNC2)c1
InChIInChI=1S/C9H10FN.C7H16.ClH/c10-9-3-1-2-7(4-9)8-5-11-6-8;1-3-5-7-6-4-2;/h1-4,8,11H,5-6H2;3-7H2,1-2H3;1H
InChIKeyXKTJJUBWDMDQJP-UHFFFAOYSA-N
XLogP4.91
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.85
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(3S)-3-(3-fluorophenyl)piperidine;hydrochloride
CID 45074276
3-(3-butoxyphenyl)azetidine
CID 174622804
8-(3-fluorophenyl)-3-azabicyclo[3.2.1]octane
CID 84673420
1-[4-[3-(4-butylcyclohexyl)propyl]cyclohexyl]-3-fluorobenzene
CID 139725252
(3R,4R)-3-(3-fluorophenyl)-4-propylpyrrolidine
CID 125452265
1-butyl-4-(3-fluorophenyl)piperidine
CID 174904971
[(3S,4R)-4-(3-fluorophenyl)pyrrolidin-3-yl]methanol;hydrochloride
CID 122163804
4-(3-fluorophenyl)-1,2-oxazolidine
CID 105433367
3-(3-fluorophenyl)pyrrolidine;oxalic acid
CID 91623790
fluorobenzene;hexane
CID 158112243
3-(3-phenylphenyl)azetidine;hydrochloride
CID 154791407
3-(4-fluorophenyl)azetidine
CID 55250938

Frequently Asked Questions

What is the IUPAC name of 3-(3-fluorophenyl)azetidine;heptane;hydrochloride?
The IUPAC name of 3-(3-fluorophenyl)azetidine;heptane;hydrochloride (CID 175294675) is 3-(3-fluorophenyl)azetidine;heptane;hydrochloride.
What is the SMILES notation for 3-(3-fluorophenyl)azetidine;heptane;hydrochloride?
The canonical SMILES for 3-(3-fluorophenyl)azetidine;heptane;hydrochloride is CCCCCCC.Cl.Fc1cccc(C2CNC2)c1.
What is the InChIKey of 3-(3-fluorophenyl)azetidine;heptane;hydrochloride?
The InChIKey is XKTJJUBWDMDQJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10FN.C7H16.ClH/c10-9-3-1-2-7(4-9)8-5-11-6-8;1-3-5-7-6-4-2;/h1-4,8,11H,5-6H2;3-7H2,1-2H3;1H.
What are the key properties of 3-(3-fluorophenyl)azetidine;heptane;hydrochloride?
3-(3-fluorophenyl)azetidine;heptane;hydrochloride has a molecular weight of 287.85 g/mol, XLogP of 4.91, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluorophenyl)azetidine;heptane;hydrochloride is sourced from PubChem (CID 175294675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).