N-[[1-[4-fluoro-3-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]ethanamine

C11H11F4N5 — CID 62763682

IUPACN-[[1-[4-fluoro-3-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]ethanamine
SMILESCCNCc1nnnn1-c1ccc(F)c(C(F)(F)F)c1
InChIInChI=1S/C11H11F4N5/c1-2-16-6-10-17-18-19-20(10)7-3-4-9(12)8(5-7)11(13,14)15/h3-5,16H,2,6H2,1H3
InChIKeyHYSTWBHTWDRSOM-UHFFFAOYSA-N
MW289.24 g/mol
LogP1.93
Rot. Bonds4

About N-[[1-[4-fluoro-3-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]ethanamine

N-[[1-[4-fluoro-3-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]ethanamine (PubChem CID 62763682) has the molecular formula C11H11F4N5 and a molecular weight of 289.24 g/mol. Its IUPAC name is N-[[1-[4-fluoro-3-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[1-[4-fluoro-3-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]ethanamine
PubChem CID62763682
Molecular FormulaC11H11F4N5
Molecular Weight289.24 g/mol
Exact Mass289.10
IUPAC NameN-[[1-[4-fluoro-3-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]ethanamine
SMILESCCNCc1nnnn1-c1ccc(F)c(C(F)(F)F)c1
InChIInChI=1S/C11H11F4N5/c1-2-16-6-10-17-18-19-20(10)7-3-4-9(12)8(5-7)11(13,14)15/h3-5,16H,2,6H2,1H3
InChIKeyHYSTWBHTWDRSOM-UHFFFAOYSA-N
XLogP1.93
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.24
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[1-[4-fluoro-3-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]ethanamine?
The IUPAC name of N-[[1-[4-fluoro-3-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]ethanamine (CID 62763682) is N-[[1-[4-fluoro-3-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]ethanamine.
What is the SMILES notation for N-[[1-[4-fluoro-3-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]ethanamine?
The canonical SMILES for N-[[1-[4-fluoro-3-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]ethanamine is CCNCc1nnnn1-c1ccc(F)c(C(F)(F)F)c1.
What is the InChIKey of N-[[1-[4-fluoro-3-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]ethanamine?
The InChIKey is HYSTWBHTWDRSOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F4N5/c1-2-16-6-10-17-18-19-20(10)7-3-4-9(12)8(5-7)11(13,14)15/h3-5,16H,2,6H2,1H3.
What are the key properties of N-[[1-[4-fluoro-3-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]ethanamine?
N-[[1-[4-fluoro-3-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]ethanamine has a molecular weight of 289.24 g/mol, XLogP of 1.93, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[4-fluoro-3-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]ethanamine is sourced from PubChem (CID 62763682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).