1-(2,3,4,5,6-pentafluorophenyl)-N-phenylmethanimine

C13H6F5N — CID 623159

IUPAC1-(2,3,4,5,6-pentafluorophenyl)-N-phenylmethanimine
SMILESFc1c(F)c(F)c(/C=N/c2ccccc2)c(F)c1F
InChIInChI=1S/C13H6F5N/c14-9-8(6-19-7-4-2-1-3-5-7)10(15)12(17)13(18)11(9)16/h1-6H/b19-6+
InChIKeySDDXBEOBPVXEQT-KPSZGOFPSA-N
MW271.19 g/mol
LogP4.13
Rot. Bonds2

About 1-(2,3,4,5,6-pentafluorophenyl)-N-phenylmethanimine

1-(2,3,4,5,6-pentafluorophenyl)-N-phenylmethanimine (PubChem CID 623159) has the molecular formula C13H6F5N and a molecular weight of 271.19 g/mol. Its IUPAC name is 1-(2,3,4,5,6-pentafluorophenyl)-N-phenylmethanimine.

Molecular Properties

Compound Name1-(2,3,4,5,6-pentafluorophenyl)-N-phenylmethanimine
PubChem CID623159
Molecular FormulaC13H6F5N
Molecular Weight271.19 g/mol
Exact Mass271.04
IUPAC Name1-(2,3,4,5,6-pentafluorophenyl)-N-phenylmethanimine
SMILESFc1c(F)c(F)c(/C=N/c2ccccc2)c(F)c1F
InChIInChI=1S/C13H6F5N/c14-9-8(6-19-7-4-2-1-3-5-7)10(15)12(17)13(18)11(9)16/h1-6H/b19-6+
InChIKeySDDXBEOBPVXEQT-KPSZGOFPSA-N
XLogP4.13
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.19
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2,3,4,5,6-pentafluorophenyl)-N-phenylmethanimine?
The IUPAC name of 1-(2,3,4,5,6-pentafluorophenyl)-N-phenylmethanimine (CID 623159) is 1-(2,3,4,5,6-pentafluorophenyl)-N-phenylmethanimine.
What is the SMILES notation for 1-(2,3,4,5,6-pentafluorophenyl)-N-phenylmethanimine?
The canonical SMILES for 1-(2,3,4,5,6-pentafluorophenyl)-N-phenylmethanimine is Fc1c(F)c(F)c(/C=N/c2ccccc2)c(F)c1F.
What is the InChIKey of 1-(2,3,4,5,6-pentafluorophenyl)-N-phenylmethanimine?
The InChIKey is SDDXBEOBPVXEQT-KPSZGOFPSA-N. The full InChI is InChI=1S/C13H6F5N/c14-9-8(6-19-7-4-2-1-3-5-7)10(15)12(17)13(18)11(9)16/h1-6H/b19-6+.
What are the key properties of 1-(2,3,4,5,6-pentafluorophenyl)-N-phenylmethanimine?
1-(2,3,4,5,6-pentafluorophenyl)-N-phenylmethanimine has a molecular weight of 271.19 g/mol, XLogP of 4.13, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3,4,5,6-pentafluorophenyl)-N-phenylmethanimine is sourced from PubChem (CID 623159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).