(2-bromophenyl)-(2,3,4,5,6-pentafluorophenyl)methanimine

C13H5BrF5N — CID 22296435

IUPAC(2-bromophenyl)-(2,3,4,5,6-pentafluorophenyl)methanimine
SMILES[H]/N=C(\c1ccccc1Br)c1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C13H5BrF5N/c14-6-4-2-1-3-5(6)13(20)7-8(15)10(17)12(19)11(18)9(7)16/h1-4,20H/b20-13+
InChIKeyKRMMEVLTPUWTOF-DEDYPNTBSA-N
MW350.08 g/mol
LogP4.56
Rot. Bonds2

About (2-bromophenyl)-(2,3,4,5,6-pentafluorophenyl)methanimine

(2-bromophenyl)-(2,3,4,5,6-pentafluorophenyl)methanimine (PubChem CID 22296435) has the molecular formula C13H5BrF5N and a molecular weight of 350.08 g/mol. Its IUPAC name is (2-bromophenyl)-(2,3,4,5,6-pentafluorophenyl)methanimine.

Molecular Properties

Compound Name(2-bromophenyl)-(2,3,4,5,6-pentafluorophenyl)methanimine
PubChem CID22296435
Molecular FormulaC13H5BrF5N
Molecular Weight350.08 g/mol
Exact Mass348.95
IUPAC Name(2-bromophenyl)-(2,3,4,5,6-pentafluorophenyl)methanimine
SMILES[H]/N=C(\c1ccccc1Br)c1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C13H5BrF5N/c14-6-4-2-1-3-5(6)13(20)7-8(15)10(17)12(19)11(18)9(7)16/h1-4,20H/b20-13+
InChIKeyKRMMEVLTPUWTOF-DEDYPNTBSA-N
XLogP4.56
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.08
LogP ≤ 54.56
H-Bond Donors ≤ 51
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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Related Compounds

1-(2-bromophenyl)-1-(2,3,4,5,6-pentafluorophenyl)-N-(2,4,4-trimethylpentan-2-yl)methanimine
CID 56641726
1-(2-bromophenyl)-1-(2,6-difluorophenyl)-N-(2,4,4-trimethylpentan-2-yl)methanimine
CID 101534294
1-(2-bromophenyl)-N-tert-butyl-1-(2,3,4,5,6-pentafluorophenyl)methanimine
CID 101534296
1-(2-bromophenyl)-N-cyclohexyl-1-(2,3,4,5,6-pentafluorophenyl)methanimine
CID 135002725
1-(4-Bromophenyl)-2,2,2-trifluoroethanimine
CID 12164754
1-(3-Bromophenyl)-2,2,2-trifluoroethanimine
CID 12164757
(3-Bromophenyl)-(4-fluorophenyl)methanimine
CID 87177690
1-(5-Bromo-2,4-difluorophenyl)ethanimine
CID 87490060
1-(5-Bromo-2-fluorophenyl)-2,2-difluoroethanimine
CID 88548641
1-(5-Bromo-2-fluorophenyl)ethanimine
CID 88898025
2-[(Z)-[1-(2-bromo-5-fluorophenyl)-2-(2-fluorophenyl)ethylidene]amino]guanidine
CID 89422414
2-[(Z)-[1-(2-bromophenyl)-2-(2-fluorophenyl)ethylidene]amino]guanidine
CID 89422516

Frequently Asked Questions

What is the IUPAC name of (2-bromophenyl)-(2,3,4,5,6-pentafluorophenyl)methanimine?
The IUPAC name of (2-bromophenyl)-(2,3,4,5,6-pentafluorophenyl)methanimine (CID 22296435) is (2-bromophenyl)-(2,3,4,5,6-pentafluorophenyl)methanimine.
What is the SMILES notation for (2-bromophenyl)-(2,3,4,5,6-pentafluorophenyl)methanimine?
The canonical SMILES for (2-bromophenyl)-(2,3,4,5,6-pentafluorophenyl)methanimine is [H]/N=C(\c1ccccc1Br)c1c(F)c(F)c(F)c(F)c1F.
What is the InChIKey of (2-bromophenyl)-(2,3,4,5,6-pentafluorophenyl)methanimine?
The InChIKey is KRMMEVLTPUWTOF-DEDYPNTBSA-N. The full InChI is InChI=1S/C13H5BrF5N/c14-6-4-2-1-3-5(6)13(20)7-8(15)10(17)12(19)11(18)9(7)16/h1-4,20H/b20-13+.
What are the key properties of (2-bromophenyl)-(2,3,4,5,6-pentafluorophenyl)methanimine?
(2-bromophenyl)-(2,3,4,5,6-pentafluorophenyl)methanimine has a molecular weight of 350.08 g/mol, XLogP of 4.56, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromophenyl)-(2,3,4,5,6-pentafluorophenyl)methanimine is sourced from PubChem (CID 22296435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).