2,6-dichloro-N-[[5-[2,6-dichloro-4-(trifluoromethyl)phenyl]furan-2-yl]methylideneamino]-4-(trifluoromethyl)aniline

C19H8Cl4F6N2O — CID 2781657

IUPAC2,6-dichloro-N-[[5-[2,6-dichloro-4-(trifluoromethyl)phenyl]furan-2-yl]methylideneamino]-4-(trifluoromethyl)aniline
SMILESFC(F)(F)c1cc(Cl)c(NN=Cc2ccc(-c3c(Cl)cc(C(F)(F)F)cc3Cl)o2)c(Cl)c1
InChIInChI=1S/C19H8Cl4F6N2O/c20-11-3-8(18(24,25)26)4-12(21)16(11)15-2-1-10(32-15)7-30-31-17-13(22)5-9(6-14(17)23)19(27,28)29/h1-7,31H
InChIKeyGRTJQRCTEXFQLA-UHFFFAOYSA-N
MW536.09 g/mol
LogP9.04
Rot. Bonds4

About 2,6-dichloro-N-[[5-[2,6-dichloro-4-(trifluoromethyl)phenyl]furan-2-yl]methylideneamino]-4-(trifluoromethyl)aniline

2,6-dichloro-N-[[5-[2,6-dichloro-4-(trifluoromethyl)phenyl]furan-2-yl]methylideneamino]-4-(trifluoromethyl)aniline (PubChem CID 2781657) has the molecular formula C19H8Cl4F6N2O and a molecular weight of 536.09 g/mol. Its IUPAC name is 2,6-dichloro-N-[[5-[2,6-dichloro-4-(trifluoromethyl)phenyl]furan-2-yl]methylideneamino]-4-(trifluoromethyl)aniline.

Molecular Properties

Compound Name2,6-dichloro-N-[[5-[2,6-dichloro-4-(trifluoromethyl)phenyl]furan-2-yl]methylideneamino]-4-(trifluoromethyl)aniline
PubChem CID2781657
Molecular FormulaC19H8Cl4F6N2O
Molecular Weight536.09 g/mol
Exact Mass533.93
IUPAC Name2,6-dichloro-N-[[5-[2,6-dichloro-4-(trifluoromethyl)phenyl]furan-2-yl]methylideneamino]-4-(trifluoromethyl)aniline
SMILESFC(F)(F)c1cc(Cl)c(NN=Cc2ccc(-c3c(Cl)cc(C(F)(F)F)cc3Cl)o2)c(Cl)c1
InChIInChI=1S/C19H8Cl4F6N2O/c20-11-3-8(18(24,25)26)4-12(21)16(11)15-2-1-10(32-15)7-30-31-17-13(22)5-9(6-14(17)23)19(27,28)29/h1-7,31H
InChIKeyGRTJQRCTEXFQLA-UHFFFAOYSA-N
XLogP9.04
TPSA37.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500536.09
LogP ≤ 59.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,4,6-trichloro-N-[(E)-[5-(3-chlorophenyl)furan-2-yl]methylideneamino]aniline
CID 50887505
2-[[[2,6-dichloro-4-(trifluoromethyl)phenyl]hydrazinylidene]methyl]phenol
CID 136914398
N-[(E)-(5-bromo-2-fluorophenyl)methylideneamino]-2,6-dichloro-4-(trifluoromethyl)aniline
CID 46949285
N-[(E)-[5-(2,4-dichlorophenyl)furan-2-yl]methylideneamino]-5-(trifluoromethyl)pyridin-2-amine
CID 126109835
2,4,6-trichloro-N-[[5-(4,5-dimethyl-2-nitrophenyl)furan-2-yl]methylideneamino]aniline
CID 50885633
N-[(E)-[5-(3,4-dichlorophenyl)furan-2-yl]methylideneamino]-2-nitro-4-(trifluoromethyl)aniline
CID 126113442
(NZ)-N-[[5-[2-chloro-5-(trifluoromethyl)phenyl]furan-2-yl]methylidene]hydroxylamine
CID 28689333
N-[(Z)-[5-(2,4-dichloro-5-nitrophenyl)furan-2-yl]methylideneamino]-5-(trifluoromethyl)pyridin-2-amine
CID 126115191
4-[(1,3-benzothiazol-2-ylhydrazinylidene)methyl]phenol;4-[[[2,6-dichloro-4-(trifluoromethyl)phenyl]hydrazinylidene]methyl]phenol
CID 173032532
2-[2,6-dichloro-4-(trifluoromethyl)phenyl]furan
CID 90729865
2-phenylethyl 4-[5-[[(2,4,6-trichlorophenyl)hydrazinylidene]methyl]furan-2-yl]benzoate
CID 50885617
N-[(Z)-[5-(4-chloro-2-nitrophenyl)furan-2-yl]methylideneamino]-5-(trifluoromethyl)pyridin-2-amine
CID 126090826

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-N-[[5-[2,6-dichloro-4-(trifluoromethyl)phenyl]furan-2-yl]methylideneamino]-4-(trifluoromethyl)aniline?
The IUPAC name of 2,6-dichloro-N-[[5-[2,6-dichloro-4-(trifluoromethyl)phenyl]furan-2-yl]methylideneamino]-4-(trifluoromethyl)aniline (CID 2781657) is 2,6-dichloro-N-[[5-[2,6-dichloro-4-(trifluoromethyl)phenyl]furan-2-yl]methylideneamino]-4-(trifluoromethyl)aniline.
What is the SMILES notation for 2,6-dichloro-N-[[5-[2,6-dichloro-4-(trifluoromethyl)phenyl]furan-2-yl]methylideneamino]-4-(trifluoromethyl)aniline?
The canonical SMILES for 2,6-dichloro-N-[[5-[2,6-dichloro-4-(trifluoromethyl)phenyl]furan-2-yl]methylideneamino]-4-(trifluoromethyl)aniline is FC(F)(F)c1cc(Cl)c(NN=Cc2ccc(-c3c(Cl)cc(C(F)(F)F)cc3Cl)o2)c(Cl)c1.
What is the InChIKey of 2,6-dichloro-N-[[5-[2,6-dichloro-4-(trifluoromethyl)phenyl]furan-2-yl]methylideneamino]-4-(trifluoromethyl)aniline?
The InChIKey is GRTJQRCTEXFQLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H8Cl4F6N2O/c20-11-3-8(18(24,25)26)4-12(21)16(11)15-2-1-10(32-15)7-30-31-17-13(22)5-9(6-14(17)23)19(27,28)29/h1-7,31H.
What are the key properties of 2,6-dichloro-N-[[5-[2,6-dichloro-4-(trifluoromethyl)phenyl]furan-2-yl]methylideneamino]-4-(trifluoromethyl)aniline?
2,6-dichloro-N-[[5-[2,6-dichloro-4-(trifluoromethyl)phenyl]furan-2-yl]methylideneamino]-4-(trifluoromethyl)aniline has a molecular weight of 536.09 g/mol, XLogP of 9.04, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-N-[[5-[2,6-dichloro-4-(trifluoromethyl)phenyl]furan-2-yl]methylideneamino]-4-(trifluoromethyl)aniline is sourced from PubChem (CID 2781657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).