(2,6-dibromo-4-tert-butylphenyl)-[4-propan-2-yl-2,6-bis(trifluoromethyl)phenyl]methanimine

C22H21Br2F6N — CID 100996747

IUPAC(2,6-dibromo-4-tert-butylphenyl)-[4-propan-2-yl-2,6-bis(trifluoromethyl)phenyl]methanimine
SMILES[H]/N=C(\c1c(Br)cc(C(C)(C)C)cc1Br)c1c(C(F)(F)F)cc(C(C)C)cc1C(F)(F)F
InChIInChI=1S/C22H21Br2F6N/c1-10(2)11-6-13(21(25,26)27)17(14(7-11)22(28,29)30)19(31)18-15(23)8-12(9-16(18)24)20(3,4)5/h6-10,31H,1-5H3/b31-19-
InChIKeyUWJHILHMWBVVNF-DXJNIWACSA-N
MW573.21 g/mol
LogP9.09
Rot. Bonds3

About (2,6-dibromo-4-tert-butylphenyl)-[4-propan-2-yl-2,6-bis(trifluoromethyl)phenyl]methanimine

(2,6-dibromo-4-tert-butylphenyl)-[4-propan-2-yl-2,6-bis(trifluoromethyl)phenyl]methanimine (PubChem CID 100996747) has the molecular formula C22H21Br2F6N and a molecular weight of 573.21 g/mol. Its IUPAC name is (2,6-dibromo-4-tert-butylphenyl)-[4-propan-2-yl-2,6-bis(trifluoromethyl)phenyl]methanimine.

Molecular Properties

Compound Name(2,6-dibromo-4-tert-butylphenyl)-[4-propan-2-yl-2,6-bis(trifluoromethyl)phenyl]methanimine
PubChem CID100996747
Molecular FormulaC22H21Br2F6N
Molecular Weight573.21 g/mol
Exact Mass570.99
IUPAC Name(2,6-dibromo-4-tert-butylphenyl)-[4-propan-2-yl-2,6-bis(trifluoromethyl)phenyl]methanimine
SMILES[H]/N=C(\c1c(Br)cc(C(C)(C)C)cc1Br)c1c(C(F)(F)F)cc(C(C)C)cc1C(F)(F)F
InChIInChI=1S/C22H21Br2F6N/c1-10(2)11-6-13(21(25,26)27)17(14(7-11)22(28,29)30)19(31)18-15(23)8-12(9-16(18)24)20(3,4)5/h6-10,31H,1-5H3/b31-19-
InChIKeyUWJHILHMWBVVNF-DXJNIWACSA-N
XLogP9.09
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500573.21
LogP ≤ 59.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1,3-Dibromo-5-tert-butyl-2-[[4-propan-2-yl-2,6-bis(trifluoromethyl)phenyl]methyl]benzene
CID 91021135
1,3-Dibromo-5-tert-butyl-2-[[4-tert-butyl-2,6-bis(trifluoromethyl)phenyl]-diazomethyl]benzene
CID 101131946
1,3,5-Tribromo-2-[(4-tert-butyl-2,6-dimethylphenyl)-diazomethyl]benzene
CID 11752642
2-cyclohexyl-1-[3,5-dibromo-4-(4-tert-butylphenyl)phenyl]-2,2-difluoro-N-methylethanimine
CID 59157328
1,3-Dibromo-2-[[2-bromo-4-tert-butyl-6-(trifluoromethyl)phenyl]-diazomethyl]-5-tert-butylbenzene
CID 101131945
1-Bromo-2-[[2-bromo-4-tert-butyl-6-(trifluoromethyl)phenyl]-diazomethyl]-5-tert-butyl-3-(trifluoromethyl)benzene
CID 101183679
1,3-Dibromo-2-[(4-tert-butyl-2,6-dimethylphenyl)-diazomethyl]-5-ethynylbenzene
CID 11224960
(2-Bromophenyl)-(2,4,6-trimethylphenyl)methanimine
CID 11565694
(4-Bromophenyl)-(3-bromo-2,4,6-trimethylphenyl)methanimine
CID 11682385
CID 100996748
CID 100996748
1,3-Dibromo-5-tert-butyl-2-[(4-tert-butyl-2,6-dimethylphenyl)-diazomethyl]benzene
CID 101154444
1,3-Dibromo-2-[(2-bromo-4-tert-butyl-6-methylphenyl)-diazomethyl]-5-ethynylbenzene
CID 101759664

Frequently Asked Questions

What is the IUPAC name of (2,6-dibromo-4-tert-butylphenyl)-[4-propan-2-yl-2,6-bis(trifluoromethyl)phenyl]methanimine?
The IUPAC name of (2,6-dibromo-4-tert-butylphenyl)-[4-propan-2-yl-2,6-bis(trifluoromethyl)phenyl]methanimine (CID 100996747) is (2,6-dibromo-4-tert-butylphenyl)-[4-propan-2-yl-2,6-bis(trifluoromethyl)phenyl]methanimine.
What is the SMILES notation for (2,6-dibromo-4-tert-butylphenyl)-[4-propan-2-yl-2,6-bis(trifluoromethyl)phenyl]methanimine?
The canonical SMILES for (2,6-dibromo-4-tert-butylphenyl)-[4-propan-2-yl-2,6-bis(trifluoromethyl)phenyl]methanimine is [H]/N=C(\c1c(Br)cc(C(C)(C)C)cc1Br)c1c(C(F)(F)F)cc(C(C)C)cc1C(F)(F)F.
What is the InChIKey of (2,6-dibromo-4-tert-butylphenyl)-[4-propan-2-yl-2,6-bis(trifluoromethyl)phenyl]methanimine?
The InChIKey is UWJHILHMWBVVNF-DXJNIWACSA-N. The full InChI is InChI=1S/C22H21Br2F6N/c1-10(2)11-6-13(21(25,26)27)17(14(7-11)22(28,29)30)19(31)18-15(23)8-12(9-16(18)24)20(3,4)5/h6-10,31H,1-5H3/b31-19-.
What are the key properties of (2,6-dibromo-4-tert-butylphenyl)-[4-propan-2-yl-2,6-bis(trifluoromethyl)phenyl]methanimine?
(2,6-dibromo-4-tert-butylphenyl)-[4-propan-2-yl-2,6-bis(trifluoromethyl)phenyl]methanimine has a molecular weight of 573.21 g/mol, XLogP of 9.09, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-dibromo-4-tert-butylphenyl)-[4-propan-2-yl-2,6-bis(trifluoromethyl)phenyl]methanimine is sourced from PubChem (CID 100996747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).