2-methyl-5-(1,1,3,3,3-pentafluoropropyl)tetrazole

C5H5F5N4 — CID 130433476

IUPAC2-methyl-5-(1,1,3,3,3-pentafluoropropyl)tetrazole
SMILESCn1nnc(C(F)(F)CC(F)(F)F)n1
InChIInChI=1S/C5H5F5N4/c1-14-12-3(11-13-14)4(6,7)2-5(8,9)10/h2H2,1H3
InChIKeyJTJDJNUMFPMRKX-UHFFFAOYSA-N
MW216.11 g/mol
LogP1.25
Rot. Bonds2

About 2-methyl-5-(1,1,3,3,3-pentafluoropropyl)tetrazole

2-methyl-5-(1,1,3,3,3-pentafluoropropyl)tetrazole (PubChem CID 130433476) has the molecular formula C5H5F5N4 and a molecular weight of 216.11 g/mol. Its IUPAC name is 2-methyl-5-(1,1,3,3,3-pentafluoropropyl)tetrazole.

Molecular Properties

Compound Name2-methyl-5-(1,1,3,3,3-pentafluoropropyl)tetrazole
PubChem CID130433476
Molecular FormulaC5H5F5N4
Molecular Weight216.11 g/mol
Exact Mass216.04
IUPAC Name2-methyl-5-(1,1,3,3,3-pentafluoropropyl)tetrazole
SMILESCn1nnc(C(F)(F)CC(F)(F)F)n1
InChIInChI=1S/C5H5F5N4/c1-14-12-3(11-13-14)4(6,7)2-5(8,9)10/h2H2,1H3
InChIKeyJTJDJNUMFPMRKX-UHFFFAOYSA-N
XLogP1.25
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.11
LogP ≤ 51.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(1,1,3,3,3-pentafluoropropyl)tetrazole?
The IUPAC name of 2-methyl-5-(1,1,3,3,3-pentafluoropropyl)tetrazole (CID 130433476) is 2-methyl-5-(1,1,3,3,3-pentafluoropropyl)tetrazole.
What is the SMILES notation for 2-methyl-5-(1,1,3,3,3-pentafluoropropyl)tetrazole?
The canonical SMILES for 2-methyl-5-(1,1,3,3,3-pentafluoropropyl)tetrazole is Cn1nnc(C(F)(F)CC(F)(F)F)n1.
What is the InChIKey of 2-methyl-5-(1,1,3,3,3-pentafluoropropyl)tetrazole?
The InChIKey is JTJDJNUMFPMRKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5F5N4/c1-14-12-3(11-13-14)4(6,7)2-5(8,9)10/h2H2,1H3.
What are the key properties of 2-methyl-5-(1,1,3,3,3-pentafluoropropyl)tetrazole?
2-methyl-5-(1,1,3,3,3-pentafluoropropyl)tetrazole has a molecular weight of 216.11 g/mol, XLogP of 1.25, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(1,1,3,3,3-pentafluoropropyl)tetrazole is sourced from PubChem (CID 130433476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).