2,3,5,6-tetrafluoro-N-[[2-(trifluoromethoxy)phenyl]methyl]pyridin-4-amine

C13H7F7N2O — CID 133370814

IUPAC2,3,5,6-tetrafluoro-N-[[2-(trifluoromethoxy)phenyl]methyl]pyridin-4-amine
SMILESFc1nc(F)c(F)c(NCc2ccccc2OC(F)(F)F)c1F
InChIInChI=1S/C13H7F7N2O/c14-8-10(9(15)12(17)22-11(8)16)21-5-6-3-1-2-4-7(6)23-13(18,19)20/h1-4H,5H2,(H,21,22)
InChIKeyVGIPXRISMGNGMS-UHFFFAOYSA-N
MW340.20 g/mol
LogP4.15
Rot. Bonds4

About 2,3,5,6-tetrafluoro-N-[[2-(trifluoromethoxy)phenyl]methyl]pyridin-4-amine

2,3,5,6-tetrafluoro-N-[[2-(trifluoromethoxy)phenyl]methyl]pyridin-4-amine (PubChem CID 133370814) has the molecular formula C13H7F7N2O and a molecular weight of 340.20 g/mol. Its IUPAC name is 2,3,5,6-tetrafluoro-N-[[2-(trifluoromethoxy)phenyl]methyl]pyridin-4-amine.

Molecular Properties

Compound Name2,3,5,6-tetrafluoro-N-[[2-(trifluoromethoxy)phenyl]methyl]pyridin-4-amine
PubChem CID133370814
Molecular FormulaC13H7F7N2O
Molecular Weight340.20 g/mol
Exact Mass340.04
IUPAC Name2,3,5,6-tetrafluoro-N-[[2-(trifluoromethoxy)phenyl]methyl]pyridin-4-amine
SMILESFc1nc(F)c(F)c(NCc2ccccc2OC(F)(F)F)c1F
InChIInChI=1S/C13H7F7N2O/c14-8-10(9(15)12(17)22-11(8)16)21-5-6-3-1-2-4-7(6)23-13(18,19)20/h1-4H,5H2,(H,21,22)
InChIKeyVGIPXRISMGNGMS-UHFFFAOYSA-N
XLogP4.15
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.20
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2,6-dichloro-N-[[2-(trifluoromethoxy)phenyl]methyl]aniline
CID 65467198
1-[2-(trifluoromethoxy)phenyl]-N-[[2-(trifluoromethoxy)phenyl]methyl]methanamine
CID 112803590
1,3,5-trimethyl-N-[[2-(trifluoromethoxy)phenyl]methyl]pyrazol-4-amine
CID 28664405
N-[[2-(trifluoromethoxy)phenyl]methyl]hydroxylamine
CID 82684299
5-bromo-N-[[2-(trifluoromethoxy)phenyl]methyl]pyrimidin-2-amine
CID 171705268
3-fluoro-2-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]aniline
CID 63454704
3-propan-2-yl-N-[[2-(trifluoromethoxy)phenyl]methyl]-1,2,4-thiadiazol-5-amine
CID 133359085
N-[[2-(trifluoromethoxy)phenyl]methyl]thiophen-3-amine
CID 66352968
4-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]pyridin-3-amine
CID 63329883
1-(2-methylphenyl)-N-[[2-(trifluoromethoxy)phenyl]methyl]methanamine
CID 60699442
2,3,3-trimethyl-N-[[2-(trifluoromethoxy)phenyl]methyl]butan-1-amine
CID 83142342
3-[[2-(trifluoromethoxy)phenyl]methylamino]propane-1,2-diol
CID 60703872

Frequently Asked Questions

What is the IUPAC name of 2,3,5,6-tetrafluoro-N-[[2-(trifluoromethoxy)phenyl]methyl]pyridin-4-amine?
The IUPAC name of 2,3,5,6-tetrafluoro-N-[[2-(trifluoromethoxy)phenyl]methyl]pyridin-4-amine (CID 133370814) is 2,3,5,6-tetrafluoro-N-[[2-(trifluoromethoxy)phenyl]methyl]pyridin-4-amine.
What is the SMILES notation for 2,3,5,6-tetrafluoro-N-[[2-(trifluoromethoxy)phenyl]methyl]pyridin-4-amine?
The canonical SMILES for 2,3,5,6-tetrafluoro-N-[[2-(trifluoromethoxy)phenyl]methyl]pyridin-4-amine is Fc1nc(F)c(F)c(NCc2ccccc2OC(F)(F)F)c1F.
What is the InChIKey of 2,3,5,6-tetrafluoro-N-[[2-(trifluoromethoxy)phenyl]methyl]pyridin-4-amine?
The InChIKey is VGIPXRISMGNGMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7F7N2O/c14-8-10(9(15)12(17)22-11(8)16)21-5-6-3-1-2-4-7(6)23-13(18,19)20/h1-4H,5H2,(H,21,22).
What are the key properties of 2,3,5,6-tetrafluoro-N-[[2-(trifluoromethoxy)phenyl]methyl]pyridin-4-amine?
2,3,5,6-tetrafluoro-N-[[2-(trifluoromethoxy)phenyl]methyl]pyridin-4-amine has a molecular weight of 340.20 g/mol, XLogP of 4.15, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5,6-tetrafluoro-N-[[2-(trifluoromethoxy)phenyl]methyl]pyridin-4-amine is sourced from PubChem (CID 133370814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).