N-[[3-fluoro-4-(trifluoromethyl)phenyl]methylideneamino]-1-(4-propylphenyl)methanimine

C18H16F4N2 — CID 54079690

IUPACN-[[3-fluoro-4-(trifluoromethyl)phenyl]methylideneamino]-1-(4-propylphenyl)methanimine
SMILESCCCc1ccc(C=NN=Cc2ccc(C(F)(F)F)c(F)c2)cc1
InChIInChI=1S/C18H16F4N2/c1-2-3-13-4-6-14(7-5-13)11-23-24-12-15-8-9-16(17(19)10-15)18(20,21)22/h4-12H,2-3H2,1H3
InChIKeyMMFBAZDNAHZZTE-UHFFFAOYSA-N
MW336.33 g/mol
LogP5.25
Rot. Bonds5

About N-[[3-fluoro-4-(trifluoromethyl)phenyl]methylideneamino]-1-(4-propylphenyl)methanimine

N-[[3-fluoro-4-(trifluoromethyl)phenyl]methylideneamino]-1-(4-propylphenyl)methanimine (PubChem CID 54079690) has the molecular formula C18H16F4N2 and a molecular weight of 336.33 g/mol. Its IUPAC name is N-[[3-fluoro-4-(trifluoromethyl)phenyl]methylideneamino]-1-(4-propylphenyl)methanimine.

Molecular Properties

Compound NameN-[[3-fluoro-4-(trifluoromethyl)phenyl]methylideneamino]-1-(4-propylphenyl)methanimine
PubChem CID54079690
Molecular FormulaC18H16F4N2
Molecular Weight336.33 g/mol
Exact Mass336.12
IUPAC NameN-[[3-fluoro-4-(trifluoromethyl)phenyl]methylideneamino]-1-(4-propylphenyl)methanimine
SMILESCCCc1ccc(C=NN=Cc2ccc(C(F)(F)F)c(F)c2)cc1
InChIInChI=1S/C18H16F4N2/c1-2-3-13-4-6-14(7-5-13)11-23-24-12-15-8-9-16(17(19)10-15)18(20,21)22/h4-12H,2-3H2,1H3
InChIKeyMMFBAZDNAHZZTE-UHFFFAOYSA-N
XLogP5.25
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.33
LogP ≤ 55.25
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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Frequently Asked Questions

What is the IUPAC name of N-[[3-fluoro-4-(trifluoromethyl)phenyl]methylideneamino]-1-(4-propylphenyl)methanimine?
The IUPAC name of N-[[3-fluoro-4-(trifluoromethyl)phenyl]methylideneamino]-1-(4-propylphenyl)methanimine (CID 54079690) is N-[[3-fluoro-4-(trifluoromethyl)phenyl]methylideneamino]-1-(4-propylphenyl)methanimine.
What is the SMILES notation for N-[[3-fluoro-4-(trifluoromethyl)phenyl]methylideneamino]-1-(4-propylphenyl)methanimine?
The canonical SMILES for N-[[3-fluoro-4-(trifluoromethyl)phenyl]methylideneamino]-1-(4-propylphenyl)methanimine is CCCc1ccc(C=NN=Cc2ccc(C(F)(F)F)c(F)c2)cc1.
What is the InChIKey of N-[[3-fluoro-4-(trifluoromethyl)phenyl]methylideneamino]-1-(4-propylphenyl)methanimine?
The InChIKey is MMFBAZDNAHZZTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F4N2/c1-2-3-13-4-6-14(7-5-13)11-23-24-12-15-8-9-16(17(19)10-15)18(20,21)22/h4-12H,2-3H2,1H3.
What are the key properties of N-[[3-fluoro-4-(trifluoromethyl)phenyl]methylideneamino]-1-(4-propylphenyl)methanimine?
N-[[3-fluoro-4-(trifluoromethyl)phenyl]methylideneamino]-1-(4-propylphenyl)methanimine has a molecular weight of 336.33 g/mol, XLogP of 5.25, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-fluoro-4-(trifluoromethyl)phenyl]methylideneamino]-1-(4-propylphenyl)methanimine is sourced from PubChem (CID 54079690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).