1-(1,1,2,2,2-pentafluoroethyl)-5-(trifluoromethyl)tetrazole

C4F8N4 — CID 87665075

IUPAC1-(1,1,2,2,2-pentafluoroethyl)-5-(trifluoromethyl)tetrazole
SMILESFC(F)(F)c1nnnn1C(F)(F)C(F)(F)F
InChIInChI=1S/C4F8N4/c5-2(6,7)1-13-14-15-16(1)4(11,12)3(8,9)10
InChIKeyXUSBPICPNLQAGE-UHFFFAOYSA-N
MW256.06 g/mol
LogP1.80
Rot. Bonds1

About 1-(1,1,2,2,2-pentafluoroethyl)-5-(trifluoromethyl)tetrazole

1-(1,1,2,2,2-pentafluoroethyl)-5-(trifluoromethyl)tetrazole (PubChem CID 87665075) has the molecular formula C4F8N4 and a molecular weight of 256.06 g/mol. Its IUPAC name is 1-(1,1,2,2,2-pentafluoroethyl)-5-(trifluoromethyl)tetrazole.

Molecular Properties

Compound Name1-(1,1,2,2,2-pentafluoroethyl)-5-(trifluoromethyl)tetrazole
PubChem CID87665075
Molecular FormulaC4F8N4
Molecular Weight256.06 g/mol
Exact Mass256.00
IUPAC Name1-(1,1,2,2,2-pentafluoroethyl)-5-(trifluoromethyl)tetrazole
SMILESFC(F)(F)c1nnnn1C(F)(F)C(F)(F)F
InChIInChI=1S/C4F8N4/c5-2(6,7)1-13-14-15-16(1)4(11,12)3(8,9)10
InChIKeyXUSBPICPNLQAGE-UHFFFAOYSA-N
XLogP1.80
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.06
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-methyl-1-(1,1,2,2,2-pentafluoroethyl)tetrazole
CID 87664936
CID 59716318
CID 59716318
1-phenyl-5-(trifluoromethyl)tetrazole
CID 11206655
1-(1,1,2,2,2-pentachloroethyl)-5-(1,1,2,2,2-pentafluoroethyl)tetrazole
CID 87664496
5-hexyl-1-(1,1,2,2,2-pentafluoroethyl)tetrazole
CID 87665284
5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1-methyltetrazole
CID 59530193
3-[5-(trifluoromethyl)tetrazol-1-yl]pyridine
CID 18922515
1,5-bis(trichloromethyl)tetrazole
CID 87665440
1-(1,1,1-trifluoro-2-methylpropan-2-yl)tetrazol-5-amine
CID 130933772
5-(1,1,2,2,2-pentafluoroethyl)-1-phenyltetrazole
CID 87664913
4-[5-(trifluoromethyl)tetrazol-1-yl]phenol
CID 21197249
1-ethyl-5-(1,1,2,2,2-pentafluoroethyl)tetrazole
CID 87664808

Frequently Asked Questions

What is the IUPAC name of 1-(1,1,2,2,2-pentafluoroethyl)-5-(trifluoromethyl)tetrazole?
The IUPAC name of 1-(1,1,2,2,2-pentafluoroethyl)-5-(trifluoromethyl)tetrazole (CID 87665075) is 1-(1,1,2,2,2-pentafluoroethyl)-5-(trifluoromethyl)tetrazole.
What is the SMILES notation for 1-(1,1,2,2,2-pentafluoroethyl)-5-(trifluoromethyl)tetrazole?
The canonical SMILES for 1-(1,1,2,2,2-pentafluoroethyl)-5-(trifluoromethyl)tetrazole is FC(F)(F)c1nnnn1C(F)(F)C(F)(F)F.
What is the InChIKey of 1-(1,1,2,2,2-pentafluoroethyl)-5-(trifluoromethyl)tetrazole?
The InChIKey is XUSBPICPNLQAGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C4F8N4/c5-2(6,7)1-13-14-15-16(1)4(11,12)3(8,9)10.
What are the key properties of 1-(1,1,2,2,2-pentafluoroethyl)-5-(trifluoromethyl)tetrazole?
1-(1,1,2,2,2-pentafluoroethyl)-5-(trifluoromethyl)tetrazole has a molecular weight of 256.06 g/mol, XLogP of 1.80, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,1,2,2,2-pentafluoroethyl)-5-(trifluoromethyl)tetrazole is sourced from PubChem (CID 87665075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).