4-(1-cycloheptyltetrazol-5-yl)-2-fluoroaniline

C14H18FN5 — CID 62680823

IUPAC4-(1-cycloheptyltetrazol-5-yl)-2-fluoroaniline
SMILESNc1ccc(-c2nnnn2C2CCCCCC2)cc1F
InChIInChI=1S/C14H18FN5/c15-12-9-10(7-8-13(12)16)14-17-18-19-20(14)11-5-3-1-2-4-6-11/h7-9,11H,1-6,16H2
InChIKeyPVUSURJSMACDDX-UHFFFAOYSA-N
MW275.33 g/mol
LogP2.96
Rot. Bonds2

About 4-(1-cycloheptyltetrazol-5-yl)-2-fluoroaniline

4-(1-cycloheptyltetrazol-5-yl)-2-fluoroaniline (PubChem CID 62680823) has the molecular formula C14H18FN5 and a molecular weight of 275.33 g/mol. Its IUPAC name is 4-(1-cycloheptyltetrazol-5-yl)-2-fluoroaniline.

Molecular Properties

Compound Name4-(1-cycloheptyltetrazol-5-yl)-2-fluoroaniline
PubChem CID62680823
Molecular FormulaC14H18FN5
Molecular Weight275.33 g/mol
Exact Mass275.15
IUPAC Name4-(1-cycloheptyltetrazol-5-yl)-2-fluoroaniline
SMILESNc1ccc(-c2nnnn2C2CCCCCC2)cc1F
InChIInChI=1S/C14H18FN5/c15-12-9-10(7-8-13(12)16)14-17-18-19-20(14)11-5-3-1-2-4-6-11/h7-9,11H,1-6,16H2
InChIKeyPVUSURJSMACDDX-UHFFFAOYSA-N
XLogP2.96
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.33
LogP ≤ 52.96
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

2-chloro-4-(1-cyclooctyltetrazol-5-yl)aniline
CID 82779718
4-[1-(2,2-dimethylcyclohexyl)tetrazol-5-yl]-2-fluoroaniline
CID 79871398
3-(1-cyclohexyltetrazol-5-yl)aniline
CID 61351420
2-fluoro-5-[1-(3-methylcyclohexyl)tetrazol-5-yl]aniline
CID 61353432
3-(1-cyclooctyltetrazol-5-yl)-4-fluoroaniline
CID 61353453
2-fluoro-4-[1-(2-methyloxolan-3-yl)tetrazol-5-yl]aniline
CID 82737081
2-fluoro-4-[1-(7-oxabicyclo[2.2.1]heptan-2-yl)tetrazol-5-yl]aniline
CID 80714826
2,3-dichloro-5-(1-cycloheptyltetrazol-5-yl)aniline
CID 61354472
4-(1-cyclobutyltetrazol-5-yl)-3-fluoroaniline
CID 62414238
5-(1-cyclobutyltetrazol-5-yl)-2-ethoxyaniline
CID 62415801
2-(1-cycloheptyltetrazol-5-yl)-4-methoxyaniline
CID 61354470
2-(1-cyclohexyltetrazol-5-yl)-4-methoxyaniline
CID 61376382

Frequently Asked Questions

What is the IUPAC name of 4-(1-cycloheptyltetrazol-5-yl)-2-fluoroaniline?
The IUPAC name of 4-(1-cycloheptyltetrazol-5-yl)-2-fluoroaniline (CID 62680823) is 4-(1-cycloheptyltetrazol-5-yl)-2-fluoroaniline.
What is the SMILES notation for 4-(1-cycloheptyltetrazol-5-yl)-2-fluoroaniline?
The canonical SMILES for 4-(1-cycloheptyltetrazol-5-yl)-2-fluoroaniline is Nc1ccc(-c2nnnn2C2CCCCCC2)cc1F.
What is the InChIKey of 4-(1-cycloheptyltetrazol-5-yl)-2-fluoroaniline?
The InChIKey is PVUSURJSMACDDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FN5/c15-12-9-10(7-8-13(12)16)14-17-18-19-20(14)11-5-3-1-2-4-6-11/h7-9,11H,1-6,16H2.
What are the key properties of 4-(1-cycloheptyltetrazol-5-yl)-2-fluoroaniline?
4-(1-cycloheptyltetrazol-5-yl)-2-fluoroaniline has a molecular weight of 275.33 g/mol, XLogP of 2.96, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-cycloheptyltetrazol-5-yl)-2-fluoroaniline is sourced from PubChem (CID 62680823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).