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

C3HF5N4 — CID 14591043

IUPAC5-(1,1,2,2,2-pentafluoroethyl)-2H-tetrazole
SMILESFC(F)(F)C(F)(F)c1nn[nH]n1
InChIInChI=1S/C3HF5N4/c4-2(5,3(6,7)8)1-9-11-12-10-1/h(H,9,10,11,12)
InChIKeyAQRFLATZASBDNT-UHFFFAOYSA-N
MW188.06 g/mol
LogP0.85
Rot. Bonds1

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

5-(1,1,2,2,2-pentafluoroethyl)-2H-tetrazole (PubChem CID 14591043) has the molecular formula C3HF5N4 and a molecular weight of 188.06 g/mol. Its IUPAC name is 5-(1,1,2,2,2-pentafluoroethyl)-2H-tetrazole.

Molecular Properties

Compound Name5-(1,1,2,2,2-pentafluoroethyl)-2H-tetrazole
PubChem CID14591043
Molecular FormulaC3HF5N4
Molecular Weight188.06 g/mol
Exact Mass188.01
IUPAC Name5-(1,1,2,2,2-pentafluoroethyl)-2H-tetrazole
SMILESFC(F)(F)C(F)(F)c1nn[nH]n1
InChIInChI=1S/C3HF5N4/c4-2(5,3(6,7)8)1-9-11-12-10-1/h(H,9,10,11,12)
InChIKeyAQRFLATZASBDNT-UHFFFAOYSA-N
XLogP0.85
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.06
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-[difluoro(nitro)methyl]-2H-tetrazole
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O-[2-(2H-tetrazol-5-yl)propan-2-yl]hydroxylamine
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methanamine;5-methyl-2H-tetrazole
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5-(2-ethoxypropan-2-yl)-2H-tetrazole
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5-[difluoro(naphthalen-2-yl)methyl]-2H-tetrazole
CID 10778283
5-[chloro(dinitro)methyl]-2H-tetrazole
CID 91987213
5-(2-methylhexan-2-yl)-2H-tetrazole
CID 166949125
trimethyl(2H-tetrazol-5-yl)-λ4-sulfane
CID 123995819
5-(2H-tetrazol-5-ylsulfonyl)-2H-tetrazole
CID 87453730
N-(2,2-difluoropropyl)-3-methyl-3-(2H-tetrazol-5-yl)butanamide
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2-methyl-2-(2H-tetrazol-5-yl)pentan-3-one
CID 89112241

Frequently Asked Questions

What is the IUPAC name of 5-(1,1,2,2,2-pentafluoroethyl)-2H-tetrazole?
The IUPAC name of 5-(1,1,2,2,2-pentafluoroethyl)-2H-tetrazole (CID 14591043) is 5-(1,1,2,2,2-pentafluoroethyl)-2H-tetrazole.
What is the SMILES notation for 5-(1,1,2,2,2-pentafluoroethyl)-2H-tetrazole?
The canonical SMILES for 5-(1,1,2,2,2-pentafluoroethyl)-2H-tetrazole is FC(F)(F)C(F)(F)c1nn[nH]n1.
What is the InChIKey of 5-(1,1,2,2,2-pentafluoroethyl)-2H-tetrazole?
The InChIKey is AQRFLATZASBDNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C3HF5N4/c4-2(5,3(6,7)8)1-9-11-12-10-1/h(H,9,10,11,12).
What are the key properties of 5-(1,1,2,2,2-pentafluoroethyl)-2H-tetrazole?
5-(1,1,2,2,2-pentafluoroethyl)-2H-tetrazole has a molecular weight of 188.06 g/mol, XLogP of 0.85, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,1,2,2,2-pentafluoroethyl)-2H-tetrazole is sourced from PubChem (CID 14591043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).