N-methyl-1-[1-[2-(2,2,2-trifluoroethoxy)ethyl]tetrazol-5-yl]methanamine

C7H12F3N5O — CID 63827603

IUPACN-methyl-1-[1-[2-(2,2,2-trifluoroethoxy)ethyl]tetrazol-5-yl]methanamine
SMILESCNCc1nnnn1CCOCC(F)(F)F
InChIInChI=1S/C7H12F3N5O/c1-11-4-6-12-13-14-15(6)2-3-16-5-7(8,9)10/h11H,2-5H2,1H3
InChIKeyQOHCSNQKZZNWRN-UHFFFAOYSA-N
MW239.20 g/mol
LogP-0.03
Rot. Bonds6

About N-methyl-1-[1-[2-(2,2,2-trifluoroethoxy)ethyl]tetrazol-5-yl]methanamine

N-methyl-1-[1-[2-(2,2,2-trifluoroethoxy)ethyl]tetrazol-5-yl]methanamine (PubChem CID 63827603) has the molecular formula C7H12F3N5O and a molecular weight of 239.20 g/mol. Its IUPAC name is N-methyl-1-[1-[2-(2,2,2-trifluoroethoxy)ethyl]tetrazol-5-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[1-[2-(2,2,2-trifluoroethoxy)ethyl]tetrazol-5-yl]methanamine
PubChem CID63827603
Molecular FormulaC7H12F3N5O
Molecular Weight239.20 g/mol
Exact Mass239.10
IUPAC NameN-methyl-1-[1-[2-(2,2,2-trifluoroethoxy)ethyl]tetrazol-5-yl]methanamine
SMILESCNCc1nnnn1CCOCC(F)(F)F
InChIInChI=1S/C7H12F3N5O/c1-11-4-6-12-13-14-15(6)2-3-16-5-7(8,9)10/h11H,2-5H2,1H3
InChIKeyQOHCSNQKZZNWRN-UHFFFAOYSA-N
XLogP-0.03
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.20
LogP ≤ 5-0.03
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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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[1-[2-(2,2,2-trifluoroethoxy)ethyl]tetrazol-5-yl]methanamine?
The IUPAC name of N-methyl-1-[1-[2-(2,2,2-trifluoroethoxy)ethyl]tetrazol-5-yl]methanamine (CID 63827603) is N-methyl-1-[1-[2-(2,2,2-trifluoroethoxy)ethyl]tetrazol-5-yl]methanamine.
What is the SMILES notation for N-methyl-1-[1-[2-(2,2,2-trifluoroethoxy)ethyl]tetrazol-5-yl]methanamine?
The canonical SMILES for N-methyl-1-[1-[2-(2,2,2-trifluoroethoxy)ethyl]tetrazol-5-yl]methanamine is CNCc1nnnn1CCOCC(F)(F)F.
What is the InChIKey of N-methyl-1-[1-[2-(2,2,2-trifluoroethoxy)ethyl]tetrazol-5-yl]methanamine?
The InChIKey is QOHCSNQKZZNWRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F3N5O/c1-11-4-6-12-13-14-15(6)2-3-16-5-7(8,9)10/h11H,2-5H2,1H3.
What are the key properties of N-methyl-1-[1-[2-(2,2,2-trifluoroethoxy)ethyl]tetrazol-5-yl]methanamine?
N-methyl-1-[1-[2-(2,2,2-trifluoroethoxy)ethyl]tetrazol-5-yl]methanamine has a molecular weight of 239.20 g/mol, XLogP of -0.03, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[1-[2-(2,2,2-trifluoroethoxy)ethyl]tetrazol-5-yl]methanamine is sourced from PubChem (CID 63827603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).