N-[[1-(2,2-difluoroethyl)tetrazol-5-yl]methyl]-2-methoxyethanamine

C7H13F2N5O — CID 115408738

IUPACN-[[1-(2,2-difluoroethyl)tetrazol-5-yl]methyl]-2-methoxyethanamine
SMILESCOCCNCc1nnnn1CC(F)F
InChIInChI=1S/C7H13F2N5O/c1-15-3-2-10-4-7-11-12-13-14(7)5-6(8)9/h6,10H,2-5H2,1H3
InChIKeyGZZHNTKNLUMPFI-UHFFFAOYSA-N
MW221.21 g/mol
LogP-0.33
Rot. Bonds7

About N-[[1-(2,2-difluoroethyl)tetrazol-5-yl]methyl]-2-methoxyethanamine

N-[[1-(2,2-difluoroethyl)tetrazol-5-yl]methyl]-2-methoxyethanamine (PubChem CID 115408738) has the molecular formula C7H13F2N5O and a molecular weight of 221.21 g/mol. Its IUPAC name is N-[[1-(2,2-difluoroethyl)tetrazol-5-yl]methyl]-2-methoxyethanamine.

Molecular Properties

Compound NameN-[[1-(2,2-difluoroethyl)tetrazol-5-yl]methyl]-2-methoxyethanamine
PubChem CID115408738
Molecular FormulaC7H13F2N5O
Molecular Weight221.21 g/mol
Exact Mass221.11
IUPAC NameN-[[1-(2,2-difluoroethyl)tetrazol-5-yl]methyl]-2-methoxyethanamine
SMILESCOCCNCc1nnnn1CC(F)F
InChIInChI=1S/C7H13F2N5O/c1-15-3-2-10-4-7-11-12-13-14(7)5-6(8)9/h6,10H,2-5H2,1H3
InChIKeyGZZHNTKNLUMPFI-UHFFFAOYSA-N
XLogP-0.33
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.21
LogP ≤ 5-0.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[[1-[(1-ethylcyclopropyl)methyl]tetrazol-5-yl]methyl]-2-methoxyethanamine
CID 114102054
N-[[1-(2-cyclopentyloxyethyl)tetrazol-5-yl]methyl]-2-methoxyethanamine
CID 63826562
2-methoxy-N-[[1-[2-(2-methylphenyl)ethyl]tetrazol-5-yl]methyl]ethanamine
CID 79756983
N-[[1-[1-(4-fluorophenyl)propan-2-yl]tetrazol-5-yl]methyl]-2-methoxyethanamine
CID 62994447
2-methoxy-N-[[1-[2-(3-methoxyphenyl)ethyl]tetrazol-5-yl]methyl]ethanamine
CID 107853847
N-[[1-(2-bromo-5-fluorophenyl)tetrazol-5-yl]methyl]-2-methoxyethanamine
CID 107639463
2-methoxy-N-[[1-(4-methylcyclohexyl)tetrazol-5-yl]methyl]ethanamine
CID 62737442
N-[[1-(4-iodophenyl)tetrazol-5-yl]methyl]-2-methoxyethanamine
CID 55109241
2-methoxy-N-[[1-(2-methylcyclohexyl)tetrazol-5-yl]methyl]ethanamine
CID 62737252
N-[[1-(2,3-dihydro-1H-inden-2-yl)tetrazol-5-yl]methyl]-2-methoxyethanamine
CID 107853826
N-[[1-(2-bromophenyl)tetrazol-5-yl]methyl]-2-methoxyethanamine
CID 62737942
N-[[1-(4-bromo-2,6-dimethylphenyl)tetrazol-5-yl]methyl]-2-methoxyethanamine
CID 65499863

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2,2-difluoroethyl)tetrazol-5-yl]methyl]-2-methoxyethanamine?
The IUPAC name of N-[[1-(2,2-difluoroethyl)tetrazol-5-yl]methyl]-2-methoxyethanamine (CID 115408738) is N-[[1-(2,2-difluoroethyl)tetrazol-5-yl]methyl]-2-methoxyethanamine.
What is the SMILES notation for N-[[1-(2,2-difluoroethyl)tetrazol-5-yl]methyl]-2-methoxyethanamine?
The canonical SMILES for N-[[1-(2,2-difluoroethyl)tetrazol-5-yl]methyl]-2-methoxyethanamine is COCCNCc1nnnn1CC(F)F.
What is the InChIKey of N-[[1-(2,2-difluoroethyl)tetrazol-5-yl]methyl]-2-methoxyethanamine?
The InChIKey is GZZHNTKNLUMPFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13F2N5O/c1-15-3-2-10-4-7-11-12-13-14(7)5-6(8)9/h6,10H,2-5H2,1H3.
What are the key properties of N-[[1-(2,2-difluoroethyl)tetrazol-5-yl]methyl]-2-methoxyethanamine?
N-[[1-(2,2-difluoroethyl)tetrazol-5-yl]methyl]-2-methoxyethanamine has a molecular weight of 221.21 g/mol, XLogP of -0.33, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2,2-difluoroethyl)tetrazol-5-yl]methyl]-2-methoxyethanamine is sourced from PubChem (CID 115408738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).