(E)-1-(4-butylphenyl)-N-[(E)-[3-fluoro-4-(2,2,2-trifluoroethoxy)phenyl]methylideneamino]methanimine

C20H20F4N2O — CID 19368957

IUPAC(E)-1-(4-butylphenyl)-N-[(E)-[3-fluoro-4-(2,2,2-trifluoroethoxy)phenyl]methylideneamino]methanimine
SMILESCCCCc1ccc(/C=N/N=C/c2ccc(OCC(F)(F)F)c(F)c2)cc1
InChIInChI=1S/C20H20F4N2O/c1-2-3-4-15-5-7-16(8-6-15)12-25-26-13-17-9-10-19(18(21)11-17)27-14-20(22,23)24/h5-13H,2-4,14H2,1H3/b25-12+,26-13+
InChIKeyUEWDKLCZXLICES-AAGZUKFUSA-N
MW380.39 g/mol
LogP5.56
Rot. Bonds8

About (E)-1-(4-butylphenyl)-N-[(E)-[3-fluoro-4-(2,2,2-trifluoroethoxy)phenyl]methylideneamino]methanimine

(E)-1-(4-butylphenyl)-N-[(E)-[3-fluoro-4-(2,2,2-trifluoroethoxy)phenyl]methylideneamino]methanimine (PubChem CID 19368957) has the molecular formula C20H20F4N2O and a molecular weight of 380.39 g/mol. Its IUPAC name is (E)-1-(4-butylphenyl)-N-[(E)-[3-fluoro-4-(2,2,2-trifluoroethoxy)phenyl]methylideneamino]methanimine.

Molecular Properties

Compound Name(E)-1-(4-butylphenyl)-N-[(E)-[3-fluoro-4-(2,2,2-trifluoroethoxy)phenyl]methylideneamino]methanimine
PubChem CID19368957
Molecular FormulaC20H20F4N2O
Molecular Weight380.39 g/mol
Exact Mass380.15
IUPAC Name(E)-1-(4-butylphenyl)-N-[(E)-[3-fluoro-4-(2,2,2-trifluoroethoxy)phenyl]methylideneamino]methanimine
SMILESCCCCc1ccc(/C=N/N=C/c2ccc(OCC(F)(F)F)c(F)c2)cc1
InChIInChI=1S/C20H20F4N2O/c1-2-3-4-15-5-7-16(8-6-15)12-25-26-13-17-9-10-19(18(21)11-17)27-14-20(22,23)24/h5-13H,2-4,14H2,1H3/b25-12+,26-13+
InChIKeyUEWDKLCZXLICES-AAGZUKFUSA-N
XLogP5.56
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.39
LogP ≤ 55.56
H-Bond Donors ≤ 50
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

(E)-1-(4-butylphenyl)-N-[(E)-[3,5-difluoro-4-(2,2,2-trifluoroethoxy)phenyl]methylideneamino]methanimine
CID 19368700
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
1-(4-butylphenyl)-N-[(4-ethyl-3,5-difluorophenyl)methylideneamino]methanimine
CID 54200575
(E)-N-[(E)-[3,5-difluoro-4-(2,2,2-trifluoroethoxy)phenyl]methylideneamino]-1-(4-ethylphenyl)methanimine
CID 19368359
(E)-N-[(E)-(3-fluoro-4-methylphenyl)methylideneamino]-1-(4-pentylphenyl)methanimine
CID 19368301
N-[[3-fluoro-4-(trifluoromethyl)phenyl]methylideneamino]-1-(4-propylphenyl)methanimine
CID 54079690
1-(4-butylphenyl)-N-[(4-fluorophenyl)methylideneamino]methanimine
CID 140983623
(E)-N-[(E)-(4-ethyl-3-fluorophenyl)methylideneamino]-1-(4-pentylphenyl)methanimine
CID 19368563
(E)-N-[(E)-(4-butyl-2-fluorophenyl)methylideneamino]-1-[4-(trifluoromethyl)phenyl]methanimine
CID 19368380
N-[(3,5-difluoro-4-methylphenyl)methylideneamino]-1-(4-pentylphenyl)methanimine
CID 54337056
(E)-N-[(E)-[4-(difluoromethoxy)-3,5-difluorophenyl]methylideneamino]-1-(4-pentylphenyl)methanimine
CID 19368311

Frequently Asked Questions

What is the IUPAC name of (E)-1-(4-butylphenyl)-N-[(E)-[3-fluoro-4-(2,2,2-trifluoroethoxy)phenyl]methylideneamino]methanimine?
The IUPAC name of (E)-1-(4-butylphenyl)-N-[(E)-[3-fluoro-4-(2,2,2-trifluoroethoxy)phenyl]methylideneamino]methanimine (CID 19368957) is (E)-1-(4-butylphenyl)-N-[(E)-[3-fluoro-4-(2,2,2-trifluoroethoxy)phenyl]methylideneamino]methanimine.
What is the SMILES notation for (E)-1-(4-butylphenyl)-N-[(E)-[3-fluoro-4-(2,2,2-trifluoroethoxy)phenyl]methylideneamino]methanimine?
The canonical SMILES for (E)-1-(4-butylphenyl)-N-[(E)-[3-fluoro-4-(2,2,2-trifluoroethoxy)phenyl]methylideneamino]methanimine is CCCCc1ccc(/C=N/N=C/c2ccc(OCC(F)(F)F)c(F)c2)cc1.
What is the InChIKey of (E)-1-(4-butylphenyl)-N-[(E)-[3-fluoro-4-(2,2,2-trifluoroethoxy)phenyl]methylideneamino]methanimine?
The InChIKey is UEWDKLCZXLICES-AAGZUKFUSA-N. The full InChI is InChI=1S/C20H20F4N2O/c1-2-3-4-15-5-7-16(8-6-15)12-25-26-13-17-9-10-19(18(21)11-17)27-14-20(22,23)24/h5-13H,2-4,14H2,1H3/b25-12+,26-13+.
What are the key properties of (E)-1-(4-butylphenyl)-N-[(E)-[3-fluoro-4-(2,2,2-trifluoroethoxy)phenyl]methylideneamino]methanimine?
(E)-1-(4-butylphenyl)-N-[(E)-[3-fluoro-4-(2,2,2-trifluoroethoxy)phenyl]methylideneamino]methanimine has a molecular weight of 380.39 g/mol, XLogP of 5.56, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(4-butylphenyl)-N-[(E)-[3-fluoro-4-(2,2,2-trifluoroethoxy)phenyl]methylideneamino]methanimine is sourced from PubChem (CID 19368957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).