2,2,2-trifluoro-N-[(2-methyltetrazol-5-yl)methyl]ethanamine

C5H8F3N5 — CID 107042096

IUPAC2,2,2-trifluoro-N-[(2-methyltetrazol-5-yl)methyl]ethanamine
SMILESCn1nnc(CNCC(F)(F)F)n1
InChIInChI=1S/C5H8F3N5/c1-13-11-4(10-12-13)2-9-3-5(6,7)8/h9H,2-3H2,1H3
InChIKeyXKPRXHSISZNLFH-UHFFFAOYSA-N
MW195.15 g/mol
LogP-0.14
Rot. Bonds3

About 2,2,2-trifluoro-N-[(2-methyltetrazol-5-yl)methyl]ethanamine

2,2,2-trifluoro-N-[(2-methyltetrazol-5-yl)methyl]ethanamine (PubChem CID 107042096) has the molecular formula C5H8F3N5 and a molecular weight of 195.15 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[(2-methyltetrazol-5-yl)methyl]ethanamine.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[(2-methyltetrazol-5-yl)methyl]ethanamine
PubChem CID107042096
Molecular FormulaC5H8F3N5
Molecular Weight195.15 g/mol
Exact Mass195.07
IUPAC Name2,2,2-trifluoro-N-[(2-methyltetrazol-5-yl)methyl]ethanamine
SMILESCn1nnc(CNCC(F)(F)F)n1
InChIInChI=1S/C5H8F3N5/c1-13-11-4(10-12-13)2-9-3-5(6,7)8/h9H,2-3H2,1H3
InChIKeyXKPRXHSISZNLFH-UHFFFAOYSA-N
XLogP-0.14
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.15
LogP ≤ 5-0.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[(2-methyltetrazol-5-yl)methyl]ethanamine?
The IUPAC name of 2,2,2-trifluoro-N-[(2-methyltetrazol-5-yl)methyl]ethanamine (CID 107042096) is 2,2,2-trifluoro-N-[(2-methyltetrazol-5-yl)methyl]ethanamine.
What is the SMILES notation for 2,2,2-trifluoro-N-[(2-methyltetrazol-5-yl)methyl]ethanamine?
The canonical SMILES for 2,2,2-trifluoro-N-[(2-methyltetrazol-5-yl)methyl]ethanamine is Cn1nnc(CNCC(F)(F)F)n1.
What is the InChIKey of 2,2,2-trifluoro-N-[(2-methyltetrazol-5-yl)methyl]ethanamine?
The InChIKey is XKPRXHSISZNLFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8F3N5/c1-13-11-4(10-12-13)2-9-3-5(6,7)8/h9H,2-3H2,1H3.
What are the key properties of 2,2,2-trifluoro-N-[(2-methyltetrazol-5-yl)methyl]ethanamine?
2,2,2-trifluoro-N-[(2-methyltetrazol-5-yl)methyl]ethanamine has a molecular weight of 195.15 g/mol, XLogP of -0.14, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[(2-methyltetrazol-5-yl)methyl]ethanamine is sourced from PubChem (CID 107042096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).