1-(2-fluoro-5-nitrophenyl)-5-propyltetrazole

C10H10FN5O2 — CID 151752253

IUPAC1-(2-fluoro-5-nitrophenyl)-5-propyltetrazole
SMILESCCCc1nnnn1-c1cc([N+](=O)[O-])ccc1F
InChIInChI=1S/C10H10FN5O2/c1-2-3-10-12-13-14-15(10)9-6-7(16(17)18)4-5-8(9)11/h4-6H,2-3H2,1H3
InChIKeyROUONXDXIGGNIG-UHFFFAOYSA-N
MW251.22 g/mol
LogP1.66
Rot. Bonds4

About 1-(2-fluoro-5-nitrophenyl)-5-propyltetrazole

1-(2-fluoro-5-nitrophenyl)-5-propyltetrazole (PubChem CID 151752253) has the molecular formula C10H10FN5O2 and a molecular weight of 251.22 g/mol. Its IUPAC name is 1-(2-fluoro-5-nitrophenyl)-5-propyltetrazole.

Molecular Properties

Compound Name1-(2-fluoro-5-nitrophenyl)-5-propyltetrazole
PubChem CID151752253
Molecular FormulaC10H10FN5O2
Molecular Weight251.22 g/mol
Exact Mass251.08
IUPAC Name1-(2-fluoro-5-nitrophenyl)-5-propyltetrazole
SMILESCCCc1nnnn1-c1cc([N+](=O)[O-])ccc1F
InChIInChI=1S/C10H10FN5O2/c1-2-3-10-12-13-14-15(10)9-6-7(16(17)18)4-5-8(9)11/h4-6H,2-3H2,1H3
InChIKeyROUONXDXIGGNIG-UHFFFAOYSA-N
XLogP1.66
TPSA86.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.22
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-5-nitrophenyl)-5-propyltetrazole?
The IUPAC name of 1-(2-fluoro-5-nitrophenyl)-5-propyltetrazole (CID 151752253) is 1-(2-fluoro-5-nitrophenyl)-5-propyltetrazole.
What is the SMILES notation for 1-(2-fluoro-5-nitrophenyl)-5-propyltetrazole?
The canonical SMILES for 1-(2-fluoro-5-nitrophenyl)-5-propyltetrazole is CCCc1nnnn1-c1cc([N+](=O)[O-])ccc1F.
What is the InChIKey of 1-(2-fluoro-5-nitrophenyl)-5-propyltetrazole?
The InChIKey is ROUONXDXIGGNIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FN5O2/c1-2-3-10-12-13-14-15(10)9-6-7(16(17)18)4-5-8(9)11/h4-6H,2-3H2,1H3.
What are the key properties of 1-(2-fluoro-5-nitrophenyl)-5-propyltetrazole?
1-(2-fluoro-5-nitrophenyl)-5-propyltetrazole has a molecular weight of 251.22 g/mol, XLogP of 1.66, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoro-5-nitrophenyl)-5-propyltetrazole is sourced from PubChem (CID 151752253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).