N-[4-(trifluoromethyl)phenyl]propan-1-imine

C10H10F3N — CID 15524246

IUPACN-[4-(trifluoromethyl)phenyl]propan-1-imine
SMILESCC/C=N/c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C10H10F3N/c1-2-7-14-9-5-3-8(4-6-9)10(11,12)13/h3-7H,2H2,1H3/b14-7+
InChIKeyLHWZZHAYVGSIQL-VGOFMYFVSA-N
MW201.19 g/mol
LogP3.82
Rot. Bonds2

About N-[4-(trifluoromethyl)phenyl]propan-1-imine

N-[4-(trifluoromethyl)phenyl]propan-1-imine (PubChem CID 15524246) has the molecular formula C10H10F3N and a molecular weight of 201.19 g/mol. Its IUPAC name is N-[4-(trifluoromethyl)phenyl]propan-1-imine.

Molecular Properties

Compound NameN-[4-(trifluoromethyl)phenyl]propan-1-imine
PubChem CID15524246
Molecular FormulaC10H10F3N
Molecular Weight201.19 g/mol
Exact Mass201.08
IUPAC NameN-[4-(trifluoromethyl)phenyl]propan-1-imine
SMILESCC/C=N/c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C10H10F3N/c1-2-7-14-9-5-3-8(4-6-9)10(11,12)13/h3-7H,2H2,1H3/b14-7+
InChIKeyLHWZZHAYVGSIQL-VGOFMYFVSA-N
XLogP3.82
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.19
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-[4-(trifluoromethyl)phenyl]propan-1-imine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[4-(trifluoromethyl)phenyl]propan-1-imine?
The IUPAC name of N-[4-(trifluoromethyl)phenyl]propan-1-imine (CID 15524246) is N-[4-(trifluoromethyl)phenyl]propan-1-imine.
What is the SMILES notation for N-[4-(trifluoromethyl)phenyl]propan-1-imine?
The canonical SMILES for N-[4-(trifluoromethyl)phenyl]propan-1-imine is CC/C=N/c1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-[4-(trifluoromethyl)phenyl]propan-1-imine?
The InChIKey is LHWZZHAYVGSIQL-VGOFMYFVSA-N. The full InChI is InChI=1S/C10H10F3N/c1-2-7-14-9-5-3-8(4-6-9)10(11,12)13/h3-7H,2H2,1H3/b14-7+.
What are the key properties of N-[4-(trifluoromethyl)phenyl]propan-1-imine?
N-[4-(trifluoromethyl)phenyl]propan-1-imine has a molecular weight of 201.19 g/mol, XLogP of 3.82, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(trifluoromethyl)phenyl]propan-1-imine is sourced from PubChem (CID 15524246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).