N-methyl-1-[4-(trifluoromethyl)phenyl]methanimine oxide

C9H8F3NO — CID 5395688

IUPACN-methyl-1-[4-(trifluoromethyl)phenyl]methanimine oxide
SMILESC/[N+]([O-])=C\c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C9H8F3NO/c1-13(14)6-7-2-4-8(5-3-7)9(10,11)12/h2-6H,1H3/b13-6+
InChIKeyYDQVHLJRYUAVRA-AWNIVKPZSA-N
MW203.16 g/mol
LogP2.26
Rot. Bonds1

About N-methyl-1-[4-(trifluoromethyl)phenyl]methanimine oxide

N-methyl-1-[4-(trifluoromethyl)phenyl]methanimine oxide (PubChem CID 5395688) has the molecular formula C9H8F3NO and a molecular weight of 203.16 g/mol. Its IUPAC name is N-methyl-1-[4-(trifluoromethyl)phenyl]methanimine oxide.

Molecular Properties

Compound NameN-methyl-1-[4-(trifluoromethyl)phenyl]methanimine oxide
PubChem CID5395688
Molecular FormulaC9H8F3NO
Molecular Weight203.16 g/mol
Exact Mass203.06
IUPAC NameN-methyl-1-[4-(trifluoromethyl)phenyl]methanimine oxide
SMILESC/[N+]([O-])=C\c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C9H8F3NO/c1-13(14)6-7-2-4-8(5-3-7)9(10,11)12/h2-6H,1H3/b13-6+
InChIKeyYDQVHLJRYUAVRA-AWNIVKPZSA-N
XLogP2.26
TPSA26.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.16
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[4-(trifluoromethyl)phenyl]methanimine oxide?
The IUPAC name of N-methyl-1-[4-(trifluoromethyl)phenyl]methanimine oxide (CID 5395688) is N-methyl-1-[4-(trifluoromethyl)phenyl]methanimine oxide.
What is the SMILES notation for N-methyl-1-[4-(trifluoromethyl)phenyl]methanimine oxide?
The canonical SMILES for N-methyl-1-[4-(trifluoromethyl)phenyl]methanimine oxide is C/[N+]([O-])=C\c1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-methyl-1-[4-(trifluoromethyl)phenyl]methanimine oxide?
The InChIKey is YDQVHLJRYUAVRA-AWNIVKPZSA-N. The full InChI is InChI=1S/C9H8F3NO/c1-13(14)6-7-2-4-8(5-3-7)9(10,11)12/h2-6H,1H3/b13-6+.
What are the key properties of N-methyl-1-[4-(trifluoromethyl)phenyl]methanimine oxide?
N-methyl-1-[4-(trifluoromethyl)phenyl]methanimine oxide has a molecular weight of 203.16 g/mol, XLogP of 2.26, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[4-(trifluoromethyl)phenyl]methanimine oxide is sourced from PubChem (CID 5395688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).