3-decyl-3-(2-fluorophenyl)azetidine

C19H30FN — CID 79459999

IUPAC3-decyl-3-(2-fluorophenyl)azetidine
SMILESCCCCCCCCCCC1(c2ccccc2F)CNC1
InChIInChI=1S/C19H30FN/c1-2-3-4-5-6-7-8-11-14-19(15-21-16-19)17-12-9-10-13-18(17)20/h9-10,12-13,21H,2-8,11,14-16H2,1H3
InChIKeyUBOCOTVXWRZKBI-UHFFFAOYSA-N
MW291.45 g/mol
LogP5.20
Rot. Bonds10

About 3-decyl-3-(2-fluorophenyl)azetidine

3-decyl-3-(2-fluorophenyl)azetidine (PubChem CID 79459999) has the molecular formula C19H30FN and a molecular weight of 291.45 g/mol. Its IUPAC name is 3-decyl-3-(2-fluorophenyl)azetidine.

Molecular Properties

Compound Name3-decyl-3-(2-fluorophenyl)azetidine
PubChem CID79459999
Molecular FormulaC19H30FN
Molecular Weight291.45 g/mol
Exact Mass291.24
IUPAC Name3-decyl-3-(2-fluorophenyl)azetidine
SMILESCCCCCCCCCCC1(c2ccccc2F)CNC1
InChIInChI=1S/C19H30FN/c1-2-3-4-5-6-7-8-11-14-19(15-21-16-19)17-12-9-10-13-18(17)20/h9-10,12-13,21H,2-8,11,14-16H2,1H3
InChIKeyUBOCOTVXWRZKBI-UHFFFAOYSA-N
XLogP5.20
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500291.45
LogP ≤ 55.20
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

3-(2-chlorophenyl)-3-decylazetidine
CID 79460995
3-(2-fluorophenyl)-3-(2-phenylsulfanylethyl)azetidine
CID 79459919
4-[2-[3-(2-fluorophenyl)azetidin-3-yl]ethyl]-1-methylpyrazole
CID 103019212
3-[(3,5-difluorophenyl)methyl]-3-(2-fluorophenyl)azetidine
CID 105411193
3-(2-chlorophenyl)-3-(3-ethoxypropyl)azetidine
CID 79459718
3-benzyl-3-nonylazetidine
CID 79451822
1-fluoro-2-heptylbenzene
CID 20721019
3-[(2-chloro-5-fluorophenyl)methyl]-3-(2-fluorophenyl)azetidine
CID 102621675
9,9-di(docosyl)fluorene
CID 22568526
9,9-didecylfluorene
CID 5135289
5-[[3-(2-fluorophenyl)azetidin-3-yl]methyl]-1-propan-2-yl-1,2,4-triazole
CID 79459830
fluorobenzene;hexane
CID 158112243

Frequently Asked Questions

What is the IUPAC name of 3-decyl-3-(2-fluorophenyl)azetidine?
The IUPAC name of 3-decyl-3-(2-fluorophenyl)azetidine (CID 79459999) is 3-decyl-3-(2-fluorophenyl)azetidine.
What is the SMILES notation for 3-decyl-3-(2-fluorophenyl)azetidine?
The canonical SMILES for 3-decyl-3-(2-fluorophenyl)azetidine is CCCCCCCCCCC1(c2ccccc2F)CNC1.
What is the InChIKey of 3-decyl-3-(2-fluorophenyl)azetidine?
The InChIKey is UBOCOTVXWRZKBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30FN/c1-2-3-4-5-6-7-8-11-14-19(15-21-16-19)17-12-9-10-13-18(17)20/h9-10,12-13,21H,2-8,11,14-16H2,1H3.
What are the key properties of 3-decyl-3-(2-fluorophenyl)azetidine?
3-decyl-3-(2-fluorophenyl)azetidine has a molecular weight of 291.45 g/mol, XLogP of 5.20, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-decyl-3-(2-fluorophenyl)azetidine is sourced from PubChem (CID 79459999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).