1-(2-bromophenyl)-N-cyclohexyl-1-(2,3,4,5,6-pentafluorophenyl)methanimine

C19H15BrF5N — CID 135002725

IUPAC1-(2-bromophenyl)-N-cyclohexyl-1-(2,3,4,5,6-pentafluorophenyl)methanimine
SMILESFc1c(F)c(F)c(/C(=N/C2CCCCC2)c2ccccc2Br)c(F)c1F
InChIInChI=1S/C19H15BrF5N/c20-12-9-5-4-8-11(12)19(26-10-6-2-1-3-7-10)13-14(21)16(23)18(25)17(24)15(13)22/h4-5,8-10H,1-3,6-7H2/b26-19+
InChIKeyJCPCBOXOTAOBMH-LGUFXXKBSA-N
MW432.23 g/mol
LogP6.31
Rot. Bonds3

About 1-(2-bromophenyl)-N-cyclohexyl-1-(2,3,4,5,6-pentafluorophenyl)methanimine

1-(2-bromophenyl)-N-cyclohexyl-1-(2,3,4,5,6-pentafluorophenyl)methanimine (PubChem CID 135002725) has the molecular formula C19H15BrF5N and a molecular weight of 432.23 g/mol. Its IUPAC name is 1-(2-bromophenyl)-N-cyclohexyl-1-(2,3,4,5,6-pentafluorophenyl)methanimine.

Molecular Properties

Compound Name1-(2-bromophenyl)-N-cyclohexyl-1-(2,3,4,5,6-pentafluorophenyl)methanimine
PubChem CID135002725
Molecular FormulaC19H15BrF5N
Molecular Weight432.23 g/mol
Exact Mass431.03
IUPAC Name1-(2-bromophenyl)-N-cyclohexyl-1-(2,3,4,5,6-pentafluorophenyl)methanimine
SMILESFc1c(F)c(F)c(/C(=N/C2CCCCC2)c2ccccc2Br)c(F)c1F
InChIInChI=1S/C19H15BrF5N/c20-12-9-5-4-8-11(12)19(26-10-6-2-1-3-7-10)13-14(21)16(23)18(25)17(24)15(13)22/h4-5,8-10H,1-3,6-7H2/b26-19+
InChIKeyJCPCBOXOTAOBMH-LGUFXXKBSA-N
XLogP6.31
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.23
LogP ≤ 56.31
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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Related Compounds

6-(3-Bromo-5-fluorophenyl)-2,3,4,5-tetrahydropyridine
CID 127026746
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
N-(1-adamantyl)-1-(2-bromophenyl)-1-(2,3,4,5,6-pentafluorophenyl)methanimine
CID 101534295
1-(2-bromophenyl)-N-tert-butyl-1-(2,3,4,5,6-pentafluorophenyl)methanimine
CID 101534296
N-[(Z)-2-(4-bromophenyl)ethenyl]-1,1-bis(4-fluorophenyl)methanimine
CID 139186374
N-[1-(4-bromophenyl)-3,3,3-trifluoropropyl]-1,1-diphenylmethanimine
CID 166446424
(E)-N-(2-Bromobenzylidene)-1,1-diphenylmethanamine
CID 59315617
1-[(2-Bromophenyl)methyl]-3,4-dihydroisoquinoline
CID 86025440
(2R)-2-(4-bromophenyl)-5-(2,6-difluorophenyl)-3,4-dihydro-2H-pyrrole
CID 9858967
2H-Pyrrole, 2-(4-bromophenyl)-5-(2,6-difluorophenyl)-3,4-dihydro-
CID 10268649
5-(4-bromophenyl)-2-(2,6-difluorophenyl)-3,4-dihydro-2H-pyrrole
CID 21918436

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromophenyl)-N-cyclohexyl-1-(2,3,4,5,6-pentafluorophenyl)methanimine?
The IUPAC name of 1-(2-bromophenyl)-N-cyclohexyl-1-(2,3,4,5,6-pentafluorophenyl)methanimine (CID 135002725) is 1-(2-bromophenyl)-N-cyclohexyl-1-(2,3,4,5,6-pentafluorophenyl)methanimine.
What is the SMILES notation for 1-(2-bromophenyl)-N-cyclohexyl-1-(2,3,4,5,6-pentafluorophenyl)methanimine?
The canonical SMILES for 1-(2-bromophenyl)-N-cyclohexyl-1-(2,3,4,5,6-pentafluorophenyl)methanimine is Fc1c(F)c(F)c(/C(=N/C2CCCCC2)c2ccccc2Br)c(F)c1F.
What is the InChIKey of 1-(2-bromophenyl)-N-cyclohexyl-1-(2,3,4,5,6-pentafluorophenyl)methanimine?
The InChIKey is JCPCBOXOTAOBMH-LGUFXXKBSA-N. The full InChI is InChI=1S/C19H15BrF5N/c20-12-9-5-4-8-11(12)19(26-10-6-2-1-3-7-10)13-14(21)16(23)18(25)17(24)15(13)22/h4-5,8-10H,1-3,6-7H2/b26-19+.
What are the key properties of 1-(2-bromophenyl)-N-cyclohexyl-1-(2,3,4,5,6-pentafluorophenyl)methanimine?
1-(2-bromophenyl)-N-cyclohexyl-1-(2,3,4,5,6-pentafluorophenyl)methanimine has a molecular weight of 432.23 g/mol, XLogP of 6.31, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromophenyl)-N-cyclohexyl-1-(2,3,4,5,6-pentafluorophenyl)methanimine is sourced from PubChem (CID 135002725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).