5-(1,1,2,2,2-pentafluoroethyl)-1-phenyltetrazole

C9H5F5N4 — CID 87664913

IUPAC5-(1,1,2,2,2-pentafluoroethyl)-1-phenyltetrazole
SMILESFC(F)(F)C(F)(F)c1nnnn1-c1ccccc1
InChIInChI=1S/C9H5F5N4/c10-8(11,9(12,13)14)7-15-16-17-18(7)6-4-2-1-3-5-6/h1-5H
InChIKeyUYTDVGSWARZODN-UHFFFAOYSA-N
MW264.16 g/mol
LogP2.32
Rot. Bonds2

About 5-(1,1,2,2,2-pentafluoroethyl)-1-phenyltetrazole

5-(1,1,2,2,2-pentafluoroethyl)-1-phenyltetrazole (PubChem CID 87664913) has the molecular formula C9H5F5N4 and a molecular weight of 264.16 g/mol. Its IUPAC name is 5-(1,1,2,2,2-pentafluoroethyl)-1-phenyltetrazole.

Molecular Properties

Compound Name5-(1,1,2,2,2-pentafluoroethyl)-1-phenyltetrazole
PubChem CID87664913
Molecular FormulaC9H5F5N4
Molecular Weight264.16 g/mol
Exact Mass264.04
IUPAC Name5-(1,1,2,2,2-pentafluoroethyl)-1-phenyltetrazole
SMILESFC(F)(F)C(F)(F)c1nnnn1-c1ccccc1
InChIInChI=1S/C9H5F5N4/c10-8(11,9(12,13)14)7-15-16-17-18(7)6-4-2-1-3-5-6/h1-5H
InChIKeyUYTDVGSWARZODN-UHFFFAOYSA-N
XLogP2.32
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.16
LogP ≤ 52.32
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

1-phenyl-5-(trifluoromethyl)tetrazole
CID 11206655
1-phenyl-5-(trichloromethyl)tetrazole
CID 69031476
N-methyl-2-(1-phenyltetrazol-5-yl)propan-2-amine
CID 53009736
1-phenyltetrazole-5-selenol
CID 173399228
5-(1,1,2,2,2-pentafluoroethyl)-1-(2-propoxyphenyl)tetrazole
CID 87633879
3-[5-(trifluoromethyl)tetrazol-1-yl]pyridine
CID 18922515
4-[5-(trifluoromethyl)tetrazol-1-yl]phenol
CID 21197249
3-[5-(trifluoromethyl)tetrazol-1-yl]phenol
CID 178199956
1-phenyl-5-[(1-phenyltetrazol-5-yl)methyl]tetrazole
CID 3090521
5-ethenyl-1-phenyltetrazole
CID 12753529
azanium 1-phenyltetrazole-5-thiolate
CID 15902281
2,2-difluoro-2-(1-phenyltetrazol-5-yl)sulfanylacetic acid
CID 81218371

Frequently Asked Questions

What is the IUPAC name of 5-(1,1,2,2,2-pentafluoroethyl)-1-phenyltetrazole?
The IUPAC name of 5-(1,1,2,2,2-pentafluoroethyl)-1-phenyltetrazole (CID 87664913) is 5-(1,1,2,2,2-pentafluoroethyl)-1-phenyltetrazole.
What is the SMILES notation for 5-(1,1,2,2,2-pentafluoroethyl)-1-phenyltetrazole?
The canonical SMILES for 5-(1,1,2,2,2-pentafluoroethyl)-1-phenyltetrazole is FC(F)(F)C(F)(F)c1nnnn1-c1ccccc1.
What is the InChIKey of 5-(1,1,2,2,2-pentafluoroethyl)-1-phenyltetrazole?
The InChIKey is UYTDVGSWARZODN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5F5N4/c10-8(11,9(12,13)14)7-15-16-17-18(7)6-4-2-1-3-5-6/h1-5H.
What are the key properties of 5-(1,1,2,2,2-pentafluoroethyl)-1-phenyltetrazole?
5-(1,1,2,2,2-pentafluoroethyl)-1-phenyltetrazole has a molecular weight of 264.16 g/mol, XLogP of 2.32, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,1,2,2,2-pentafluoroethyl)-1-phenyltetrazole is sourced from PubChem (CID 87664913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).