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

C7H12F3N5 — CID 107167914

IUPAC4,4,4-trifluoro-N-[(2-methyltetrazol-5-yl)methyl]butan-2-amine
SMILESCC(CC(F)(F)F)NCc1nnn(C)n1
InChIInChI=1S/C7H12F3N5/c1-5(3-7(8,9)10)11-4-6-12-14-15(2)13-6/h5,11H,3-4H2,1-2H3
InChIKeyCKAMJECGKVLALH-UHFFFAOYSA-N
MW223.20 g/mol
LogP0.64
Rot. Bonds4

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

4,4,4-trifluoro-N-[(2-methyltetrazol-5-yl)methyl]butan-2-amine (PubChem CID 107167914) has the molecular formula C7H12F3N5 and a molecular weight of 223.20 g/mol. Its IUPAC name is 4,4,4-trifluoro-N-[(2-methyltetrazol-5-yl)methyl]butan-2-amine.

Molecular Properties

Compound Name4,4,4-trifluoro-N-[(2-methyltetrazol-5-yl)methyl]butan-2-amine
PubChem CID107167914
Molecular FormulaC7H12F3N5
Molecular Weight223.20 g/mol
Exact Mass223.10
IUPAC Name4,4,4-trifluoro-N-[(2-methyltetrazol-5-yl)methyl]butan-2-amine
SMILESCC(CC(F)(F)F)NCc1nnn(C)n1
InChIInChI=1S/C7H12F3N5/c1-5(3-7(8,9)10)11-4-6-12-14-15(2)13-6/h5,11H,3-4H2,1-2H3
InChIKeyCKAMJECGKVLALH-UHFFFAOYSA-N
XLogP0.64
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 ≤ 50.64
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-[(2-methyltetrazol-5-yl)methyl]butan-2-amine?
The IUPAC name of 4,4,4-trifluoro-N-[(2-methyltetrazol-5-yl)methyl]butan-2-amine (CID 107167914) is 4,4,4-trifluoro-N-[(2-methyltetrazol-5-yl)methyl]butan-2-amine.
What is the SMILES notation for 4,4,4-trifluoro-N-[(2-methyltetrazol-5-yl)methyl]butan-2-amine?
The canonical SMILES for 4,4,4-trifluoro-N-[(2-methyltetrazol-5-yl)methyl]butan-2-amine is CC(CC(F)(F)F)NCc1nnn(C)n1.
What is the InChIKey of 4,4,4-trifluoro-N-[(2-methyltetrazol-5-yl)methyl]butan-2-amine?
The InChIKey is CKAMJECGKVLALH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F3N5/c1-5(3-7(8,9)10)11-4-6-12-14-15(2)13-6/h5,11H,3-4H2,1-2H3.
What are the key properties of 4,4,4-trifluoro-N-[(2-methyltetrazol-5-yl)methyl]butan-2-amine?
4,4,4-trifluoro-N-[(2-methyltetrazol-5-yl)methyl]butan-2-amine has a molecular weight of 223.20 g/mol, XLogP of 0.64, 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-[(2-methyltetrazol-5-yl)methyl]butan-2-amine is sourced from PubChem (CID 107167914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).