N-methyl-1-[5-(trifluoromethyl)cyclohepta-1,3,5-trien-1-yl]methanimine

C10H10F3N — CID 142233493

IUPACN-methyl-1-[5-(trifluoromethyl)cyclohepta-1,3,5-trien-1-yl]methanimine
SMILESC/N=C/C1=CC=CC(C(F)(F)F)=CC1
InChIInChI=1S/C10H10F3N/c1-14-7-8-3-2-4-9(6-5-8)10(11,12)13/h2-4,6-7H,5H2,1H3/b14-7+
InChIKeyHBZMJLYAABMSBT-VGOFMYFVSA-N
MW201.19 g/mol
LogP3.06
Rot. Bonds1

About N-methyl-1-[5-(trifluoromethyl)cyclohepta-1,3,5-trien-1-yl]methanimine

N-methyl-1-[5-(trifluoromethyl)cyclohepta-1,3,5-trien-1-yl]methanimine (PubChem CID 142233493) has the molecular formula C10H10F3N and a molecular weight of 201.19 g/mol. Its IUPAC name is N-methyl-1-[5-(trifluoromethyl)cyclohepta-1,3,5-trien-1-yl]methanimine.

Molecular Properties

Compound NameN-methyl-1-[5-(trifluoromethyl)cyclohepta-1,3,5-trien-1-yl]methanimine
PubChem CID142233493
Molecular FormulaC10H10F3N
Molecular Weight201.19 g/mol
Exact Mass201.08
IUPAC NameN-methyl-1-[5-(trifluoromethyl)cyclohepta-1,3,5-trien-1-yl]methanimine
SMILESC/N=C/C1=CC=CC(C(F)(F)F)=CC1
InChIInChI=1S/C10H10F3N/c1-14-7-8-3-2-4-9(6-5-8)10(11,12)13/h2-4,6-7H,5H2,1H3/b14-7+
InChIKeyHBZMJLYAABMSBT-VGOFMYFVSA-N
XLogP3.06
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.19
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[5-(trifluoromethyl)cyclohepta-1,3,5-trien-1-yl]methanimine?
The IUPAC name of N-methyl-1-[5-(trifluoromethyl)cyclohepta-1,3,5-trien-1-yl]methanimine (CID 142233493) is N-methyl-1-[5-(trifluoromethyl)cyclohepta-1,3,5-trien-1-yl]methanimine.
What is the SMILES notation for N-methyl-1-[5-(trifluoromethyl)cyclohepta-1,3,5-trien-1-yl]methanimine?
The canonical SMILES for N-methyl-1-[5-(trifluoromethyl)cyclohepta-1,3,5-trien-1-yl]methanimine is C/N=C/C1=CC=CC(C(F)(F)F)=CC1.
What is the InChIKey of N-methyl-1-[5-(trifluoromethyl)cyclohepta-1,3,5-trien-1-yl]methanimine?
The InChIKey is HBZMJLYAABMSBT-VGOFMYFVSA-N. The full InChI is InChI=1S/C10H10F3N/c1-14-7-8-3-2-4-9(6-5-8)10(11,12)13/h2-4,6-7H,5H2,1H3/b14-7+.
What are the key properties of N-methyl-1-[5-(trifluoromethyl)cyclohepta-1,3,5-trien-1-yl]methanimine?
N-methyl-1-[5-(trifluoromethyl)cyclohepta-1,3,5-trien-1-yl]methanimine has a molecular weight of 201.19 g/mol, XLogP of 3.06, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[5-(trifluoromethyl)cyclohepta-1,3,5-trien-1-yl]methanimine is sourced from PubChem (CID 142233493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).