(E)-N-[(E)-(4-butyl-2-fluorophenyl)methylideneamino]-1-[4-(trifluoromethyl)phenyl]methanimine

C19H18F4N2 — CID 19368380

IUPAC(E)-N-[(E)-(4-butyl-2-fluorophenyl)methylideneamino]-1-[4-(trifluoromethyl)phenyl]methanimine
SMILESCCCCc1ccc(/C=N/N=C/c2ccc(C(F)(F)F)cc2)c(F)c1
InChIInChI=1S/C19H18F4N2/c1-2-3-4-14-5-8-16(18(20)11-14)13-25-24-12-15-6-9-17(10-7-15)19(21,22)23/h5-13H,2-4H2,1H3/b24-12+,25-13+
InChIKeyHYPRUCJNKIZLHB-DWGHPKEWSA-N
MW350.36 g/mol
LogP5.64
Rot. Bonds6

About (E)-N-[(E)-(4-butyl-2-fluorophenyl)methylideneamino]-1-[4-(trifluoromethyl)phenyl]methanimine

(E)-N-[(E)-(4-butyl-2-fluorophenyl)methylideneamino]-1-[4-(trifluoromethyl)phenyl]methanimine (PubChem CID 19368380) has the molecular formula C19H18F4N2 and a molecular weight of 350.36 g/mol. Its IUPAC name is (E)-N-[(E)-(4-butyl-2-fluorophenyl)methylideneamino]-1-[4-(trifluoromethyl)phenyl]methanimine.

Molecular Properties

Compound Name(E)-N-[(E)-(4-butyl-2-fluorophenyl)methylideneamino]-1-[4-(trifluoromethyl)phenyl]methanimine
PubChem CID19368380
Molecular FormulaC19H18F4N2
Molecular Weight350.36 g/mol
Exact Mass350.14
IUPAC Name(E)-N-[(E)-(4-butyl-2-fluorophenyl)methylideneamino]-1-[4-(trifluoromethyl)phenyl]methanimine
SMILESCCCCc1ccc(/C=N/N=C/c2ccc(C(F)(F)F)cc2)c(F)c1
InChIInChI=1S/C19H18F4N2/c1-2-3-4-14-5-8-16(18(20)11-14)13-25-24-12-15-6-9-17(10-7-15)19(21,22)23/h5-13H,2-4H2,1H3/b24-12+,25-13+
InChIKeyHYPRUCJNKIZLHB-DWGHPKEWSA-N
XLogP5.64
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.36
LogP ≤ 55.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

(E)-N-[(E)-(4-butyl-2-fluorophenyl)methylideneamino]-1-(4-methylphenyl)methanimine
CID 19368295
(E)-N-[(E)-(4-butyl-2-fluorophenyl)methylideneamino]-1-(4-chlorophenyl)methanimine
CID 19368363
N-[(2-fluoro-4-propylphenyl)methylideneamino]-1-(4-methylphenyl)methanimine
CID 54528266
(E)-N-[(E)-(2-fluoro-4-propylphenyl)methylideneamino]-1-(4-methoxyphenyl)methanimine
CID 19368935
N-[(2-fluoro-4-methoxyphenyl)methylideneamino]-1-[4-(trifluoromethyl)phenyl]methanimine
CID 54461831
1-(4-butylphenyl)-N-[(4-fluorophenyl)methylideneamino]methanimine
CID 140983623
(E)-1-(4-butylphenyl)-N-[(E)-[3,5-difluoro-4-(2,2,2-trifluoroethoxy)phenyl]methylideneamino]methanimine
CID 19368700
(E)-1-(4-butylphenyl)-N-[(E)-[3-fluoro-4-(2,2,2-trifluoroethoxy)phenyl]methylideneamino]methanimine
CID 19368957
1-(4-butylphenyl)-N-[(4-ethyl-3,5-difluorophenyl)methylideneamino]methanimine
CID 54200575
(E)-N-[(E)-(4-ethyl-2-fluorophenyl)methylideneamino]-1-(4-methylphenyl)methanimine
CID 19368641
1-(4-butylphenyl)-N-[[3,5-difluoro-4-(trifluoromethoxy)phenyl]methylideneamino]methanimine;N-[[3,5-difluoro-4-(trifluoromethoxy)phenyl]methylideneamino]-1-(4-propylphenyl)methanimine
CID 173276638
(E)-1-(4-butylphenyl)-N-[(E)-(3,5-difluoro-4-methoxyphenyl)methylideneamino]methanimine
CID 19368243

Frequently Asked Questions

What is the IUPAC name of (E)-N-[(E)-(4-butyl-2-fluorophenyl)methylideneamino]-1-[4-(trifluoromethyl)phenyl]methanimine?
The IUPAC name of (E)-N-[(E)-(4-butyl-2-fluorophenyl)methylideneamino]-1-[4-(trifluoromethyl)phenyl]methanimine (CID 19368380) is (E)-N-[(E)-(4-butyl-2-fluorophenyl)methylideneamino]-1-[4-(trifluoromethyl)phenyl]methanimine.
What is the SMILES notation for (E)-N-[(E)-(4-butyl-2-fluorophenyl)methylideneamino]-1-[4-(trifluoromethyl)phenyl]methanimine?
The canonical SMILES for (E)-N-[(E)-(4-butyl-2-fluorophenyl)methylideneamino]-1-[4-(trifluoromethyl)phenyl]methanimine is CCCCc1ccc(/C=N/N=C/c2ccc(C(F)(F)F)cc2)c(F)c1.
What is the InChIKey of (E)-N-[(E)-(4-butyl-2-fluorophenyl)methylideneamino]-1-[4-(trifluoromethyl)phenyl]methanimine?
The InChIKey is HYPRUCJNKIZLHB-DWGHPKEWSA-N. The full InChI is InChI=1S/C19H18F4N2/c1-2-3-4-14-5-8-16(18(20)11-14)13-25-24-12-15-6-9-17(10-7-15)19(21,22)23/h5-13H,2-4H2,1H3/b24-12+,25-13+.
What are the key properties of (E)-N-[(E)-(4-butyl-2-fluorophenyl)methylideneamino]-1-[4-(trifluoromethyl)phenyl]methanimine?
(E)-N-[(E)-(4-butyl-2-fluorophenyl)methylideneamino]-1-[4-(trifluoromethyl)phenyl]methanimine has a molecular weight of 350.36 g/mol, XLogP of 5.64, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[(E)-(4-butyl-2-fluorophenyl)methylideneamino]-1-[4-(trifluoromethyl)phenyl]methanimine is sourced from PubChem (CID 19368380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).