3-(2-bicyclo[2.2.1]heptanylmethyl)-3-(4-fluorophenyl)azetidine

C17H22FN — CID 79550569

IUPAC3-(2-bicyclo[2.2.1]heptanylmethyl)-3-(4-fluorophenyl)azetidine
SMILESFc1ccc(C2(CC3CC4CCC3C4)CNC2)cc1
InChIInChI=1S/C17H22FN/c18-16-5-3-15(4-6-16)17(10-19-11-17)9-14-8-12-1-2-13(14)7-12/h3-6,12-14,19H,1-2,7-11H2
InChIKeyUOOQQNFRRRNUCN-UHFFFAOYSA-N
MW259.37 g/mol
LogP3.49
Rot. Bonds3

About 3-(2-bicyclo[2.2.1]heptanylmethyl)-3-(4-fluorophenyl)azetidine

3-(2-bicyclo[2.2.1]heptanylmethyl)-3-(4-fluorophenyl)azetidine (PubChem CID 79550569) has the molecular formula C17H22FN and a molecular weight of 259.37 g/mol. Its IUPAC name is 3-(2-bicyclo[2.2.1]heptanylmethyl)-3-(4-fluorophenyl)azetidine.

Molecular Properties

Compound Name3-(2-bicyclo[2.2.1]heptanylmethyl)-3-(4-fluorophenyl)azetidine
PubChem CID79550569
Molecular FormulaC17H22FN
Molecular Weight259.37 g/mol
Exact Mass259.17
IUPAC Name3-(2-bicyclo[2.2.1]heptanylmethyl)-3-(4-fluorophenyl)azetidine
SMILESFc1ccc(C2(CC3CC4CCC3C4)CNC2)cc1
InChIInChI=1S/C17H22FN/c18-16-5-3-15(4-6-16)17(10-19-11-17)9-14-8-12-1-2-13(14)7-12/h3-6,12-14,19H,1-2,7-11H2
InChIKeyUOOQQNFRRRNUCN-UHFFFAOYSA-N
XLogP3.49
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.37
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(2-bicyclo[2.2.1]heptanylmethyl)-3-(4-methylphenyl)azetidine
CID 79550208
3-(2-bicyclo[2.2.1]heptanylmethyl)-3-(2-chlorophenyl)azetidine
CID 79550928
2-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N-(4-fluorophenyl)acetamide
CID 7947448
3-(2-bicyclo[2.2.1]heptanylmethyl)-3-fluoropiperidine
CID 112562902
3-(2-bicyclo[2.2.1]heptanylmethyl)azetidine-3-carboxylic acid
CID 130806394
2-(2-bicyclo[2.2.1]heptanylmethyl)-1,3-dihydroinden-2-ol
CID 79558173
[1-(2-bicyclo[2.2.1]heptanyl)-3-(4-fluorophenyl)sulfanylpropan-2-yl]hydrazine
CID 105236805
1-(2-bicyclo[2.2.1]heptanylmethyl)-3-(4-fluorophenyl)urea
CID 43835669
2-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]-N-[(4-fluorophenyl)methyl]acetamide
CID 18556191
N-(2-bicyclo[2.2.1]heptanylmethyl)-2,4-difluoroaniline
CID 79554182
N-(2-bicyclo[2.2.1]heptanylmethyl)-2,5-difluoroaniline
CID 79554094
5-(2-bicyclo[2.2.1]heptanylmethyl)-4-(4-fluorophenyl)-1,2-oxazol-3-amine
CID 66198936

Frequently Asked Questions

What is the IUPAC name of 3-(2-bicyclo[2.2.1]heptanylmethyl)-3-(4-fluorophenyl)azetidine?
The IUPAC name of 3-(2-bicyclo[2.2.1]heptanylmethyl)-3-(4-fluorophenyl)azetidine (CID 79550569) is 3-(2-bicyclo[2.2.1]heptanylmethyl)-3-(4-fluorophenyl)azetidine.
What is the SMILES notation for 3-(2-bicyclo[2.2.1]heptanylmethyl)-3-(4-fluorophenyl)azetidine?
The canonical SMILES for 3-(2-bicyclo[2.2.1]heptanylmethyl)-3-(4-fluorophenyl)azetidine is Fc1ccc(C2(CC3CC4CCC3C4)CNC2)cc1.
What is the InChIKey of 3-(2-bicyclo[2.2.1]heptanylmethyl)-3-(4-fluorophenyl)azetidine?
The InChIKey is UOOQQNFRRRNUCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22FN/c18-16-5-3-15(4-6-16)17(10-19-11-17)9-14-8-12-1-2-13(14)7-12/h3-6,12-14,19H,1-2,7-11H2.
What are the key properties of 3-(2-bicyclo[2.2.1]heptanylmethyl)-3-(4-fluorophenyl)azetidine?
3-(2-bicyclo[2.2.1]heptanylmethyl)-3-(4-fluorophenyl)azetidine has a molecular weight of 259.37 g/mol, XLogP of 3.49, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-bicyclo[2.2.1]heptanylmethyl)-3-(4-fluorophenyl)azetidine is sourced from PubChem (CID 79550569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).