5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1-methyltetrazole

C5H3F7N4 — CID 59530193

IUPAC5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1-methyltetrazole
SMILESCn1nnnc1C(F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C5H3F7N4/c1-16-2(13-14-15-16)3(6,4(7,8)9)5(10,11)12/h1H3
InChIKeyLOUXBTQSOYAUKG-UHFFFAOYSA-N
MW252.09 g/mol
LogP1.50
Rot. Bonds1

About 5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1-methyltetrazole

5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1-methyltetrazole (PubChem CID 59530193) has the molecular formula C5H3F7N4 and a molecular weight of 252.09 g/mol. Its IUPAC name is 5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1-methyltetrazole.

Molecular Properties

Compound Name5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1-methyltetrazole
PubChem CID59530193
Molecular FormulaC5H3F7N4
Molecular Weight252.09 g/mol
Exact Mass252.02
IUPAC Name5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1-methyltetrazole
SMILESCn1nnnc1C(F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C5H3F7N4/c1-16-2(13-14-15-16)3(6,4(7,8)9)5(10,11)12/h1H3
InChIKeyLOUXBTQSOYAUKG-UHFFFAOYSA-N
XLogP1.50
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.09
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 115015041
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CID 119098788
5-fluoro-1-methyltetrazole
CID 69031674
1-ethyl-5-(1,1,2,2,2-pentafluoroethyl)tetrazole
CID 87664808
3-methyl-2-(1-methyltetrazol-5-yl)pentan-2-ol
CID 164659191
1-(1,1,2,2,2-pentafluoroethyl)-5-(trifluoromethyl)tetrazole
CID 87665075
CID 59716318
CID 59716318
1,5-dimethyltetrazole;hydrofluoride
CID 153359282
1-methyltetrazole-5-thiolate;tungsten
CID 170791029
5-methyl-1-(1,1,2,2,2-pentafluoroethyl)tetrazole
CID 87664936
1-(1,1,2,2,2-pentachloroethyl)-5-(1,1,2,2,2-pentafluoroethyl)tetrazole
CID 87664496
(NE)-N-[(1-methyltetrazol-5-yl)methylidene]hydroxylamine
CID 136920505

Frequently Asked Questions

What is the IUPAC name of 5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1-methyltetrazole?
The IUPAC name of 5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1-methyltetrazole (CID 59530193) is 5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1-methyltetrazole.
What is the SMILES notation for 5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1-methyltetrazole?
The canonical SMILES for 5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1-methyltetrazole is Cn1nnnc1C(F)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1-methyltetrazole?
The InChIKey is LOUXBTQSOYAUKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3F7N4/c1-16-2(13-14-15-16)3(6,4(7,8)9)5(10,11)12/h1H3.
What are the key properties of 5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1-methyltetrazole?
5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1-methyltetrazole has a molecular weight of 252.09 g/mol, XLogP of 1.50, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1-methyltetrazole is sourced from PubChem (CID 59530193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).