N-methyl-1-[3-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]methanimine

C9H10F3N — CID 142546381

IUPACN-methyl-1-[3-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]methanimine
SMILESC/N=C/C1=CC(C(F)(F)F)=CCC1
InChIInChI=1S/C9H10F3N/c1-13-6-7-3-2-4-8(5-7)9(10,11)12/h4-6H,2-3H2,1H3/b13-6+
InChIKeyHSZDAPZHLZZACY-AWNIVKPZSA-N
MW189.18 g/mol
LogP2.90
Rot. Bonds1

About N-methyl-1-[3-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]methanimine

N-methyl-1-[3-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]methanimine (PubChem CID 142546381) has the molecular formula C9H10F3N and a molecular weight of 189.18 g/mol. Its IUPAC name is N-methyl-1-[3-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]methanimine.

Molecular Properties

Compound NameN-methyl-1-[3-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]methanimine
PubChem CID142546381
Molecular FormulaC9H10F3N
Molecular Weight189.18 g/mol
Exact Mass189.08
IUPAC NameN-methyl-1-[3-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]methanimine
SMILESC/N=C/C1=CC(C(F)(F)F)=CCC1
InChIInChI=1S/C9H10F3N/c1-13-6-7-3-2-4-8(5-7)9(10,11)12/h4-6H,2-3H2,1H3/b13-6+
InChIKeyHSZDAPZHLZZACY-AWNIVKPZSA-N
XLogP2.90
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.18
LogP ≤ 52.90
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-[3-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]methanimine?
The IUPAC name of N-methyl-1-[3-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]methanimine (CID 142546381) is N-methyl-1-[3-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]methanimine.
What is the SMILES notation for N-methyl-1-[3-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]methanimine?
The canonical SMILES for N-methyl-1-[3-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]methanimine is C/N=C/C1=CC(C(F)(F)F)=CCC1.
What is the InChIKey of N-methyl-1-[3-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]methanimine?
The InChIKey is HSZDAPZHLZZACY-AWNIVKPZSA-N. The full InChI is InChI=1S/C9H10F3N/c1-13-6-7-3-2-4-8(5-7)9(10,11)12/h4-6H,2-3H2,1H3/b13-6+.
What are the key properties of N-methyl-1-[3-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]methanimine?
N-methyl-1-[3-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]methanimine has a molecular weight of 189.18 g/mol, XLogP of 2.90, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[3-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]methanimine is sourced from PubChem (CID 142546381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).