2-propan-2-yl-5-(trifluoromethyl)tetrazole

C5H7F3N4 — CID 69031683

IUPAC2-propan-2-yl-5-(trifluoromethyl)tetrazole
SMILESCC(C)n1nnc(C(F)(F)F)n1
InChIInChI=1S/C5H7F3N4/c1-3(2)12-10-4(9-11-12)5(6,7)8/h3H,1-2H3
InChIKeyQNPVRRPJDIATQR-UHFFFAOYSA-N
MW180.13 g/mol
LogP1.27
Rot. Bonds1

About 2-propan-2-yl-5-(trifluoromethyl)tetrazole

2-propan-2-yl-5-(trifluoromethyl)tetrazole (PubChem CID 69031683) has the molecular formula C5H7F3N4 and a molecular weight of 180.13 g/mol. Its IUPAC name is 2-propan-2-yl-5-(trifluoromethyl)tetrazole.

Molecular Properties

Compound Name2-propan-2-yl-5-(trifluoromethyl)tetrazole
PubChem CID69031683
Molecular FormulaC5H7F3N4
Molecular Weight180.13 g/mol
Exact Mass180.06
IUPAC Name2-propan-2-yl-5-(trifluoromethyl)tetrazole
SMILESCC(C)n1nnc(C(F)(F)F)n1
InChIInChI=1S/C5H7F3N4/c1-3(2)12-10-4(9-11-12)5(6,7)8/h3H,1-2H3
InChIKeyQNPVRRPJDIATQR-UHFFFAOYSA-N
XLogP1.27
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.13
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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-Ethyl-5-(trifluoromethyl)tetrazole
CID 57940538
5-Tert-butyl-2-(difluoromethyl)tetrazole
CID 57978652
2-(Difluoromethyl)-5-ethyltetrazole
CID 59058902
5-(Difluoromethyl)-2-methyltetrazole
CID 59530005
5-(1,1-Difluoroethyl)-2-methyltetrazole
CID 68169564
2-Pentyl-5-(trifluoromethyl)tetrazole
CID 69030920
2-(2-Methylpropyl)-5-(trifluoromethyl)tetrazole
CID 69031383
2-Propyl-5-(trifluoromethyl)tetrazole
CID 69031487

Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-5-(trifluoromethyl)tetrazole?
The IUPAC name of 2-propan-2-yl-5-(trifluoromethyl)tetrazole (CID 69031683) is 2-propan-2-yl-5-(trifluoromethyl)tetrazole.
What is the SMILES notation for 2-propan-2-yl-5-(trifluoromethyl)tetrazole?
The canonical SMILES for 2-propan-2-yl-5-(trifluoromethyl)tetrazole is CC(C)n1nnc(C(F)(F)F)n1.
What is the InChIKey of 2-propan-2-yl-5-(trifluoromethyl)tetrazole?
The InChIKey is QNPVRRPJDIATQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7F3N4/c1-3(2)12-10-4(9-11-12)5(6,7)8/h3H,1-2H3.
What are the key properties of 2-propan-2-yl-5-(trifluoromethyl)tetrazole?
2-propan-2-yl-5-(trifluoromethyl)tetrazole has a molecular weight of 180.13 g/mol, XLogP of 1.27, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-5-(trifluoromethyl)tetrazole is sourced from PubChem (CID 69031683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).