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

C5H9F2N5 — CID 107042607

IUPAC2,2-difluoro-N-[(2-methyltetrazol-5-yl)methyl]ethanamine
SMILESCn1nnc(CNCC(F)F)n1
InChIInChI=1S/C5H9F2N5/c1-12-10-5(9-11-12)3-8-2-4(6)7/h4,8H,2-3H2,1H3
InChIKeyGHEOPZSXQVJMLP-UHFFFAOYSA-N
MW177.16 g/mol
LogP-0.44
Rot. Bonds4

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

2,2-difluoro-N-[(2-methyltetrazol-5-yl)methyl]ethanamine (PubChem CID 107042607) has the molecular formula C5H9F2N5 and a molecular weight of 177.16 g/mol. Its IUPAC name is 2,2-difluoro-N-[(2-methyltetrazol-5-yl)methyl]ethanamine.

Molecular Properties

Compound Name2,2-difluoro-N-[(2-methyltetrazol-5-yl)methyl]ethanamine
PubChem CID107042607
Molecular FormulaC5H9F2N5
Molecular Weight177.16 g/mol
Exact Mass177.08
IUPAC Name2,2-difluoro-N-[(2-methyltetrazol-5-yl)methyl]ethanamine
SMILESCn1nnc(CNCC(F)F)n1
InChIInChI=1S/C5H9F2N5/c1-12-10-5(9-11-12)3-8-2-4(6)7/h4,8H,2-3H2,1H3
InChIKeyGHEOPZSXQVJMLP-UHFFFAOYSA-N
XLogP-0.44
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.16
LogP ≤ 5-0.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-N-[(2-methyltetrazol-5-yl)methyl]ethanamine?
The IUPAC name of 2,2-difluoro-N-[(2-methyltetrazol-5-yl)methyl]ethanamine (CID 107042607) is 2,2-difluoro-N-[(2-methyltetrazol-5-yl)methyl]ethanamine.
What is the SMILES notation for 2,2-difluoro-N-[(2-methyltetrazol-5-yl)methyl]ethanamine?
The canonical SMILES for 2,2-difluoro-N-[(2-methyltetrazol-5-yl)methyl]ethanamine is Cn1nnc(CNCC(F)F)n1.
What is the InChIKey of 2,2-difluoro-N-[(2-methyltetrazol-5-yl)methyl]ethanamine?
The InChIKey is GHEOPZSXQVJMLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9F2N5/c1-12-10-5(9-11-12)3-8-2-4(6)7/h4,8H,2-3H2,1H3.
What are the key properties of 2,2-difluoro-N-[(2-methyltetrazol-5-yl)methyl]ethanamine?
2,2-difluoro-N-[(2-methyltetrazol-5-yl)methyl]ethanamine has a molecular weight of 177.16 g/mol, XLogP of -0.44, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-N-[(2-methyltetrazol-5-yl)methyl]ethanamine is sourced from PubChem (CID 107042607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).