N-[[1-(2,3,5,6-tetrafluorophenyl)tetrazol-5-yl]methyl]ethanamine

C10H9F4N5 — CID 107646049

IUPACN-[[1-(2,3,5,6-tetrafluorophenyl)tetrazol-5-yl]methyl]ethanamine
SMILESCCNCc1nnnn1-c1c(F)c(F)cc(F)c1F
InChIInChI=1S/C10H9F4N5/c1-2-15-4-7-16-17-18-19(7)10-8(13)5(11)3-6(12)9(10)14/h3,15H,2,4H2,1H3
InChIKeyJSJUDVJQLKLVAA-UHFFFAOYSA-N
MW275.21 g/mol
LogP1.33
Rot. Bonds4

About N-[[1-(2,3,5,6-tetrafluorophenyl)tetrazol-5-yl]methyl]ethanamine

N-[[1-(2,3,5,6-tetrafluorophenyl)tetrazol-5-yl]methyl]ethanamine (PubChem CID 107646049) has the molecular formula C10H9F4N5 and a molecular weight of 275.21 g/mol. Its IUPAC name is N-[[1-(2,3,5,6-tetrafluorophenyl)tetrazol-5-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[1-(2,3,5,6-tetrafluorophenyl)tetrazol-5-yl]methyl]ethanamine
PubChem CID107646049
Molecular FormulaC10H9F4N5
Molecular Weight275.21 g/mol
Exact Mass275.08
IUPAC NameN-[[1-(2,3,5,6-tetrafluorophenyl)tetrazol-5-yl]methyl]ethanamine
SMILESCCNCc1nnnn1-c1c(F)c(F)cc(F)c1F
InChIInChI=1S/C10H9F4N5/c1-2-15-4-7-16-17-18-19(7)10-8(13)5(11)3-6(12)9(10)14/h3,15H,2,4H2,1H3
InChIKeyJSJUDVJQLKLVAA-UHFFFAOYSA-N
XLogP1.33
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.21
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

N-[[1-(2,4,5-trifluorophenyl)tetrazol-5-yl]methyl]ethanamine
CID 62809896
N-[[1-(2,3,5-trifluorophenyl)tetrazol-5-yl]methyl]ethanamine
CID 62813971
N-[[1-(2-fluoro-4-methylphenyl)tetrazol-5-yl]methyl]ethanamine
CID 62736639
N-[[1-[4-fluoro-3-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]ethanamine
CID 62763682
N-[[1-(2-chloro-4-fluorophenyl)tetrazol-5-yl]methyl]ethanamine
CID 55109239
N-[(1-phenyltetrazol-5-yl)methyl]ethanamine
CID 3031920
N-[(1-phenyltetrazol-5-yl)methyl]ethanamine;hydrochloride
CID 3031919
1-[1-(2,6-difluoro-3-methylphenyl)tetrazol-5-yl]-N-methylmethanamine
CID 82819907
N-[[1-(3,5-dimethoxyphenyl)tetrazol-5-yl]methyl]ethanamine
CID 62736103
N-[[1-(2-bromo-5-chlorophenyl)tetrazol-5-yl]methyl]ethanamine
CID 81275457
N-[[1-(2-bromo-4,6-difluorophenyl)tetrazol-5-yl]methyl]-2-methylpropan-1-amine
CID 62737789
N-[[1-(2,3-difluorophenyl)tetrazol-5-yl]methyl]propan-1-amine
CID 62763326

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2,3,5,6-tetrafluorophenyl)tetrazol-5-yl]methyl]ethanamine?
The IUPAC name of N-[[1-(2,3,5,6-tetrafluorophenyl)tetrazol-5-yl]methyl]ethanamine (CID 107646049) is N-[[1-(2,3,5,6-tetrafluorophenyl)tetrazol-5-yl]methyl]ethanamine.
What is the SMILES notation for N-[[1-(2,3,5,6-tetrafluorophenyl)tetrazol-5-yl]methyl]ethanamine?
The canonical SMILES for N-[[1-(2,3,5,6-tetrafluorophenyl)tetrazol-5-yl]methyl]ethanamine is CCNCc1nnnn1-c1c(F)c(F)cc(F)c1F.
What is the InChIKey of N-[[1-(2,3,5,6-tetrafluorophenyl)tetrazol-5-yl]methyl]ethanamine?
The InChIKey is JSJUDVJQLKLVAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F4N5/c1-2-15-4-7-16-17-18-19(7)10-8(13)5(11)3-6(12)9(10)14/h3,15H,2,4H2,1H3.
What are the key properties of N-[[1-(2,3,5,6-tetrafluorophenyl)tetrazol-5-yl]methyl]ethanamine?
N-[[1-(2,3,5,6-tetrafluorophenyl)tetrazol-5-yl]methyl]ethanamine has a molecular weight of 275.21 g/mol, XLogP of 1.33, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2,3,5,6-tetrafluorophenyl)tetrazol-5-yl]methyl]ethanamine is sourced from PubChem (CID 107646049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).