5-(difluoromethyl)-2-propyltetrazole

C5H8F2N4 — CID 165139343

IUPAC5-(difluoromethyl)-2-propyltetrazole
SMILESCCCn1nnc(C(F)F)n1
InChIInChI=1S/C5H8F2N4/c1-2-3-11-9-5(4(6)7)8-10-11/h4H,2-3H2,1H3
InChIKeyAOQHBMJXZDIRDT-UHFFFAOYSA-N
MW162.14 g/mol
LogP1.02
Rot. Bonds3

About 5-(difluoromethyl)-2-propyltetrazole

5-(difluoromethyl)-2-propyltetrazole (PubChem CID 165139343) has the molecular formula C5H8F2N4 and a molecular weight of 162.14 g/mol. Its IUPAC name is 5-(difluoromethyl)-2-propyltetrazole.

Molecular Properties

Compound Name5-(difluoromethyl)-2-propyltetrazole
PubChem CID165139343
Molecular FormulaC5H8F2N4
Molecular Weight162.14 g/mol
Exact Mass162.07
IUPAC Name5-(difluoromethyl)-2-propyltetrazole
SMILESCCCn1nnc(C(F)F)n1
InChIInChI=1S/C5H8F2N4/c1-2-3-11-9-5(4(6)7)8-10-11/h4H,2-3H2,1H3
InChIKeyAOQHBMJXZDIRDT-UHFFFAOYSA-N
XLogP1.02
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.14
LogP ≤ 51.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2,5-Diethyltetrazole
CID 10441712
2-Methyl-5-ethyltetrazole
CID 10011883
2-Isopropyl-5-methyltetrazole
CID 15724017
2-(2-Fluoroethyl)-5-methyltetrazole
CID 20644902
2-(3-Fluoropropyl)-5-methyltetrazole
CID 20644903
2-(Difluoromethyl)-5-methyltetrazole
CID 20644904
2-(2-Fluoroethyl)-5-propyltetrazole
CID 57872133
5-Tert-butyl-2-(2-fluoroethyl)tetrazole
CID 57911919
2-Ethyl-5-(trifluoromethyl)tetrazole
CID 57940538
5-Tert-butyl-2-(difluoromethyl)tetrazole
CID 57978652
5-Ethyl-2-(2-fluoroethyl)tetrazole
CID 58251783
2-(Difluoromethyl)-5-ethyltetrazole
CID 59058902

Frequently Asked Questions

What is the IUPAC name of 5-(difluoromethyl)-2-propyltetrazole?
The IUPAC name of 5-(difluoromethyl)-2-propyltetrazole (CID 165139343) is 5-(difluoromethyl)-2-propyltetrazole.
What is the SMILES notation for 5-(difluoromethyl)-2-propyltetrazole?
The canonical SMILES for 5-(difluoromethyl)-2-propyltetrazole is CCCn1nnc(C(F)F)n1.
What is the InChIKey of 5-(difluoromethyl)-2-propyltetrazole?
The InChIKey is AOQHBMJXZDIRDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8F2N4/c1-2-3-11-9-5(4(6)7)8-10-11/h4H,2-3H2,1H3.
What are the key properties of 5-(difluoromethyl)-2-propyltetrazole?
5-(difluoromethyl)-2-propyltetrazole has a molecular weight of 162.14 g/mol, XLogP of 1.02, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(difluoromethyl)-2-propyltetrazole is sourced from PubChem (CID 165139343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).