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

C5Cl5F5N4 — CID 87664496

IUPAC1-(1,1,2,2,2-pentachloroethyl)-5-(1,1,2,2,2-pentafluoroethyl)tetrazole
SMILESFC(F)(F)C(F)(F)c1nnnn1C(Cl)(Cl)C(Cl)(Cl)Cl
InChIInChI=1S/C5Cl5F5N4/c6-3(7,8)4(9,10)19-1(16-17-18-19)2(11,12)5(13,14)15
InChIKeyJCAKVQNENZLUCQ-UHFFFAOYSA-N
MW388.34 g/mol
LogP3.79
Rot. Bonds2

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

1-(1,1,2,2,2-pentachloroethyl)-5-(1,1,2,2,2-pentafluoroethyl)tetrazole (PubChem CID 87664496) has the molecular formula C5Cl5F5N4 and a molecular weight of 388.34 g/mol. Its IUPAC name is 1-(1,1,2,2,2-pentachloroethyl)-5-(1,1,2,2,2-pentafluoroethyl)tetrazole.

Molecular Properties

Compound Name1-(1,1,2,2,2-pentachloroethyl)-5-(1,1,2,2,2-pentafluoroethyl)tetrazole
PubChem CID87664496
Molecular FormulaC5Cl5F5N4
Molecular Weight388.34 g/mol
Exact Mass385.85
IUPAC Name1-(1,1,2,2,2-pentachloroethyl)-5-(1,1,2,2,2-pentafluoroethyl)tetrazole
SMILESFC(F)(F)C(F)(F)c1nnnn1C(Cl)(Cl)C(Cl)(Cl)Cl
InChIInChI=1S/C5Cl5F5N4/c6-3(7,8)4(9,10)19-1(16-17-18-19)2(11,12)5(13,14)15
InChIKeyJCAKVQNENZLUCQ-UHFFFAOYSA-N
XLogP3.79
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.34
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-ethyl-5-(1,1,2,2,2-pentafluoroethyl)tetrazole
CID 87664808
1-(1,1,2,2,2-pentafluoroethyl)-5-(trifluoromethyl)tetrazole
CID 87665075
1,5-bis(trichloromethyl)tetrazole
CID 87665440
5-(1,1,2,2,2-pentafluoroethyl)-1-phenyltetrazole
CID 87664913
5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1-methyltetrazole
CID 59530193
5-methyl-1-(1,1,2,2,2-pentafluoroethyl)tetrazole
CID 87664936
CID 59716318
CID 59716318
1-(1,1,1-trifluoro-2-methylpropan-2-yl)tetrazol-5-amine
CID 130933772
1-[dichloro-[5-[4-(trifluoromethyl)phenyl]tetrazol-1-yl]methyl]-5-[4-(trifluoromethyl)phenyl]tetrazole
CID 87323366
5-(1,1,2,2,2-pentafluoroethyl)-1-(2-propoxyphenyl)tetrazole
CID 87633879
2-methyl-2-[5-(1,1,2,2-tetrafluoroethyl)tetrazol-1-yl]propanoic acid
CID 79660294
5-tert-butyl-1-(2-methylbutan-2-yl)tetrazole
CID 134576797

Frequently Asked Questions

What is the IUPAC name of 1-(1,1,2,2,2-pentachloroethyl)-5-(1,1,2,2,2-pentafluoroethyl)tetrazole?
The IUPAC name of 1-(1,1,2,2,2-pentachloroethyl)-5-(1,1,2,2,2-pentafluoroethyl)tetrazole (CID 87664496) is 1-(1,1,2,2,2-pentachloroethyl)-5-(1,1,2,2,2-pentafluoroethyl)tetrazole.
What is the SMILES notation for 1-(1,1,2,2,2-pentachloroethyl)-5-(1,1,2,2,2-pentafluoroethyl)tetrazole?
The canonical SMILES for 1-(1,1,2,2,2-pentachloroethyl)-5-(1,1,2,2,2-pentafluoroethyl)tetrazole is FC(F)(F)C(F)(F)c1nnnn1C(Cl)(Cl)C(Cl)(Cl)Cl.
What is the InChIKey of 1-(1,1,2,2,2-pentachloroethyl)-5-(1,1,2,2,2-pentafluoroethyl)tetrazole?
The InChIKey is JCAKVQNENZLUCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5Cl5F5N4/c6-3(7,8)4(9,10)19-1(16-17-18-19)2(11,12)5(13,14)15.
What are the key properties of 1-(1,1,2,2,2-pentachloroethyl)-5-(1,1,2,2,2-pentafluoroethyl)tetrazole?
1-(1,1,2,2,2-pentachloroethyl)-5-(1,1,2,2,2-pentafluoroethyl)tetrazole has a molecular weight of 388.34 g/mol, XLogP of 3.79, 2 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-pentachloroethyl)-5-(1,1,2,2,2-pentafluoroethyl)tetrazole is sourced from PubChem (CID 87664496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).