N-[[1-(3,3,3-trifluoropropyl)tetrazol-5-yl]methyl]ethanamine

C7H12F3N5 — CID 63227938

IUPACN-[[1-(3,3,3-trifluoropropyl)tetrazol-5-yl]methyl]ethanamine
SMILESCCNCc1nnnn1CCC(F)(F)F
InChIInChI=1S/C7H12F3N5/c1-2-11-5-6-12-13-14-15(6)4-3-7(8,9)10/h11H,2-5H2,1H3
InChIKeyBUNUYGHBBHERRM-UHFFFAOYSA-N
MW223.20 g/mol
LogP0.74
Rot. Bonds5

About N-[[1-(3,3,3-trifluoropropyl)tetrazol-5-yl]methyl]ethanamine

N-[[1-(3,3,3-trifluoropropyl)tetrazol-5-yl]methyl]ethanamine (PubChem CID 63227938) has the molecular formula C7H12F3N5 and a molecular weight of 223.20 g/mol. Its IUPAC name is N-[[1-(3,3,3-trifluoropropyl)tetrazol-5-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[1-(3,3,3-trifluoropropyl)tetrazol-5-yl]methyl]ethanamine
PubChem CID63227938
Molecular FormulaC7H12F3N5
Molecular Weight223.20 g/mol
Exact Mass223.10
IUPAC NameN-[[1-(3,3,3-trifluoropropyl)tetrazol-5-yl]methyl]ethanamine
SMILESCCNCc1nnnn1CCC(F)(F)F
InChIInChI=1S/C7H12F3N5/c1-2-11-5-6-12-13-14-15(6)4-3-7(8,9)10/h11H,2-5H2,1H3
InChIKeyBUNUYGHBBHERRM-UHFFFAOYSA-N
XLogP0.74
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.20
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(3,3,3-trifluoropropyl)tetrazol-5-yl]methyl]ethanamine?
The IUPAC name of N-[[1-(3,3,3-trifluoropropyl)tetrazol-5-yl]methyl]ethanamine (CID 63227938) is N-[[1-(3,3,3-trifluoropropyl)tetrazol-5-yl]methyl]ethanamine.
What is the SMILES notation for N-[[1-(3,3,3-trifluoropropyl)tetrazol-5-yl]methyl]ethanamine?
The canonical SMILES for N-[[1-(3,3,3-trifluoropropyl)tetrazol-5-yl]methyl]ethanamine is CCNCc1nnnn1CCC(F)(F)F.
What is the InChIKey of N-[[1-(3,3,3-trifluoropropyl)tetrazol-5-yl]methyl]ethanamine?
The InChIKey is BUNUYGHBBHERRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F3N5/c1-2-11-5-6-12-13-14-15(6)4-3-7(8,9)10/h11H,2-5H2,1H3.
What are the key properties of N-[[1-(3,3,3-trifluoropropyl)tetrazol-5-yl]methyl]ethanamine?
N-[[1-(3,3,3-trifluoropropyl)tetrazol-5-yl]methyl]ethanamine has a molecular weight of 223.20 g/mol, XLogP of 0.74, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(3,3,3-trifluoropropyl)tetrazol-5-yl]methyl]ethanamine is sourced from PubChem (CID 63227938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).