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

C12H14FN5 — CID 55103028

IUPAC4-(1-cyclopentyltetrazol-5-yl)-2-fluoroaniline
SMILESNc1ccc(-c2nnnn2C2CCCC2)cc1F
InChIInChI=1S/C12H14FN5/c13-10-7-8(5-6-11(10)14)12-15-16-17-18(12)9-3-1-2-4-9/h5-7,9H,1-4,14H2
InChIKeyWWNQCQCMUXNZAT-UHFFFAOYSA-N
MW247.28 g/mol
LogP2.18
Rot. Bonds2

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

4-(1-cyclopentyltetrazol-5-yl)-2-fluoroaniline (PubChem CID 55103028) has the molecular formula C12H14FN5 and a molecular weight of 247.28 g/mol. Its IUPAC name is 4-(1-cyclopentyltetrazol-5-yl)-2-fluoroaniline.

Molecular Properties

Compound Name4-(1-cyclopentyltetrazol-5-yl)-2-fluoroaniline
PubChem CID55103028
Molecular FormulaC12H14FN5
Molecular Weight247.28 g/mol
Exact Mass247.12
IUPAC Name4-(1-cyclopentyltetrazol-5-yl)-2-fluoroaniline
SMILESNc1ccc(-c2nnnn2C2CCCC2)cc1F
InChIInChI=1S/C12H14FN5/c13-10-7-8(5-6-11(10)14)12-15-16-17-18(12)9-3-1-2-4-9/h5-7,9H,1-4,14H2
InChIKeyWWNQCQCMUXNZAT-UHFFFAOYSA-N
XLogP2.18
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.28
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(1-cyclopentyltetrazol-5-yl)-2-fluoroaniline?
The IUPAC name of 4-(1-cyclopentyltetrazol-5-yl)-2-fluoroaniline (CID 55103028) is 4-(1-cyclopentyltetrazol-5-yl)-2-fluoroaniline.
What is the SMILES notation for 4-(1-cyclopentyltetrazol-5-yl)-2-fluoroaniline?
The canonical SMILES for 4-(1-cyclopentyltetrazol-5-yl)-2-fluoroaniline is Nc1ccc(-c2nnnn2C2CCCC2)cc1F.
What is the InChIKey of 4-(1-cyclopentyltetrazol-5-yl)-2-fluoroaniline?
The InChIKey is WWNQCQCMUXNZAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FN5/c13-10-7-8(5-6-11(10)14)12-15-16-17-18(12)9-3-1-2-4-9/h5-7,9H,1-4,14H2.
What are the key properties of 4-(1-cyclopentyltetrazol-5-yl)-2-fluoroaniline?
4-(1-cyclopentyltetrazol-5-yl)-2-fluoroaniline has a molecular weight of 247.28 g/mol, XLogP of 2.18, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-cyclopentyltetrazol-5-yl)-2-fluoroaniline is sourced from PubChem (CID 55103028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).