3-(1-cyclooctyltetrazol-5-yl)-4-fluoroaniline

C15H20FN5 — CID 61353453

IUPAC3-(1-cyclooctyltetrazol-5-yl)-4-fluoroaniline
SMILESNc1ccc(F)c(-c2nnnn2C2CCCCCCC2)c1
InChIInChI=1S/C15H20FN5/c16-14-9-8-11(17)10-13(14)15-18-19-20-21(15)12-6-4-2-1-3-5-7-12/h8-10,12H,1-7,17H2
InChIKeyNHFJKQQEORLURO-UHFFFAOYSA-N
MW289.36 g/mol
LogP3.35
Rot. Bonds2

About 3-(1-cyclooctyltetrazol-5-yl)-4-fluoroaniline

3-(1-cyclooctyltetrazol-5-yl)-4-fluoroaniline (PubChem CID 61353453) has the molecular formula C15H20FN5 and a molecular weight of 289.36 g/mol. Its IUPAC name is 3-(1-cyclooctyltetrazol-5-yl)-4-fluoroaniline.

Molecular Properties

Compound Name3-(1-cyclooctyltetrazol-5-yl)-4-fluoroaniline
PubChem CID61353453
Molecular FormulaC15H20FN5
Molecular Weight289.36 g/mol
Exact Mass289.17
IUPAC Name3-(1-cyclooctyltetrazol-5-yl)-4-fluoroaniline
SMILESNc1ccc(F)c(-c2nnnn2C2CCCCCCC2)c1
InChIInChI=1S/C15H20FN5/c16-14-9-8-11(17)10-13(14)15-18-19-20-21(15)12-6-4-2-1-3-5-7-12/h8-10,12H,1-7,17H2
InChIKeyNHFJKQQEORLURO-UHFFFAOYSA-N
XLogP3.35
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.36
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-(1-cyclobutyltetrazol-5-yl)-3-fluoroaniline
CID 62414238
3-(1-cyclooctyltetrazol-5-yl)-4-methylaniline
CID 61353650
3-[1-(1,1-dioxothiolan-3-yl)tetrazol-5-yl]-4-fluoroaniline
CID 61353877
3-[1-(3-ethylcyclohexyl)tetrazol-5-yl]-4-fluoroaniline
CID 64743598
4-chloro-3-(1-cyclopentyltetrazol-5-yl)aniline
CID 61378718
4-fluoro-3-[1-(oxolan-3-yl)tetrazol-5-yl]aniline
CID 80716220
4-fluoro-3-[1-(2,2,3,3-tetramethylcyclopropyl)tetrazol-5-yl]aniline
CID 79362712
4-(1-cycloheptyltetrazol-5-yl)-2-fluoroaniline
CID 62680823
3-(1-cyclohexyltetrazol-5-yl)aniline
CID 61351420
3-[1-(3-ethyl-2-methylcyclopentyl)tetrazol-5-yl]-4-fluoroaniline
CID 64914664
3-(1-cycloheptyltetrazol-5-yl)-2-methylaniline
CID 61354468
2-(1-cycloheptyltetrazol-5-yl)-4-methoxyaniline
CID 61354470

Frequently Asked Questions

What is the IUPAC name of 3-(1-cyclooctyltetrazol-5-yl)-4-fluoroaniline?
The IUPAC name of 3-(1-cyclooctyltetrazol-5-yl)-4-fluoroaniline (CID 61353453) is 3-(1-cyclooctyltetrazol-5-yl)-4-fluoroaniline.
What is the SMILES notation for 3-(1-cyclooctyltetrazol-5-yl)-4-fluoroaniline?
The canonical SMILES for 3-(1-cyclooctyltetrazol-5-yl)-4-fluoroaniline is Nc1ccc(F)c(-c2nnnn2C2CCCCCCC2)c1.
What is the InChIKey of 3-(1-cyclooctyltetrazol-5-yl)-4-fluoroaniline?
The InChIKey is NHFJKQQEORLURO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FN5/c16-14-9-8-11(17)10-13(14)15-18-19-20-21(15)12-6-4-2-1-3-5-7-12/h8-10,12H,1-7,17H2.
What are the key properties of 3-(1-cyclooctyltetrazol-5-yl)-4-fluoroaniline?
3-(1-cyclooctyltetrazol-5-yl)-4-fluoroaniline has a molecular weight of 289.36 g/mol, XLogP of 3.35, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-cyclooctyltetrazol-5-yl)-4-fluoroaniline is sourced from PubChem (CID 61353453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).