4,4,4-trifluoro-N-methyl-1-(2-methyltetrazol-5-yl)butan-2-amine

C7H12F3N5 — CID 107048752

IUPAC4,4,4-trifluoro-N-methyl-1-(2-methyltetrazol-5-yl)butan-2-amine
SMILESCNC(Cc1nnn(C)n1)CC(F)(F)F
InChIInChI=1S/C7H12F3N5/c1-11-5(4-7(8,9)10)3-6-12-14-15(2)13-6/h5,11H,3-4H2,1-2H3
InChIKeyGQBJVOTZUMOJLJ-UHFFFAOYSA-N
MW223.20 g/mol
LogP0.29
Rot. Bonds4

About 4,4,4-trifluoro-N-methyl-1-(2-methyltetrazol-5-yl)butan-2-amine

4,4,4-trifluoro-N-methyl-1-(2-methyltetrazol-5-yl)butan-2-amine (PubChem CID 107048752) has the molecular formula C7H12F3N5 and a molecular weight of 223.20 g/mol. Its IUPAC name is 4,4,4-trifluoro-N-methyl-1-(2-methyltetrazol-5-yl)butan-2-amine.

Molecular Properties

Compound Name4,4,4-trifluoro-N-methyl-1-(2-methyltetrazol-5-yl)butan-2-amine
PubChem CID107048752
Molecular FormulaC7H12F3N5
Molecular Weight223.20 g/mol
Exact Mass223.10
IUPAC Name4,4,4-trifluoro-N-methyl-1-(2-methyltetrazol-5-yl)butan-2-amine
SMILESCNC(Cc1nnn(C)n1)CC(F)(F)F
InChIInChI=1S/C7H12F3N5/c1-11-5(4-7(8,9)10)3-6-12-14-15(2)13-6/h5,11H,3-4H2,1-2H3
InChIKeyGQBJVOTZUMOJLJ-UHFFFAOYSA-N
XLogP0.29
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.20
LogP ≤ 50.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4,4,4-trifluoro-N-methyl-1-(2-methyltetrazol-5-yl)butan-2-amine?
The IUPAC name of 4,4,4-trifluoro-N-methyl-1-(2-methyltetrazol-5-yl)butan-2-amine (CID 107048752) is 4,4,4-trifluoro-N-methyl-1-(2-methyltetrazol-5-yl)butan-2-amine.
What is the SMILES notation for 4,4,4-trifluoro-N-methyl-1-(2-methyltetrazol-5-yl)butan-2-amine?
The canonical SMILES for 4,4,4-trifluoro-N-methyl-1-(2-methyltetrazol-5-yl)butan-2-amine is CNC(Cc1nnn(C)n1)CC(F)(F)F.
What is the InChIKey of 4,4,4-trifluoro-N-methyl-1-(2-methyltetrazol-5-yl)butan-2-amine?
The InChIKey is GQBJVOTZUMOJLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F3N5/c1-11-5(4-7(8,9)10)3-6-12-14-15(2)13-6/h5,11H,3-4H2,1-2H3.
What are the key properties of 4,4,4-trifluoro-N-methyl-1-(2-methyltetrazol-5-yl)butan-2-amine?
4,4,4-trifluoro-N-methyl-1-(2-methyltetrazol-5-yl)butan-2-amine has a molecular weight of 223.20 g/mol, XLogP of 0.29, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,4-trifluoro-N-methyl-1-(2-methyltetrazol-5-yl)butan-2-amine is sourced from PubChem (CID 107048752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).