N-(methylamino)-N-[4-(trifluoromethoxy)phenyl]methanimidamide

C9H10F3N3O — CID 134459357

IUPACN-(methylamino)-N-[4-(trifluoromethoxy)phenyl]methanimidamide
SMILES[H]/N=C/N(NC)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C9H10F3N3O/c1-14-15(6-13)7-2-4-8(5-3-7)16-9(10,11)12/h2-6,13-14H,1H3/b13-6+
InChIKeyWPLXCFZHOJHXCS-AWNIVKPZSA-N
MW233.19 g/mol
LogP2.13
Rot. Bonds4

About N-(methylamino)-N-[4-(trifluoromethoxy)phenyl]methanimidamide

N-(methylamino)-N-[4-(trifluoromethoxy)phenyl]methanimidamide (PubChem CID 134459357) has the molecular formula C9H10F3N3O and a molecular weight of 233.19 g/mol. Its IUPAC name is N-(methylamino)-N-[4-(trifluoromethoxy)phenyl]methanimidamide.

Molecular Properties

Compound NameN-(methylamino)-N-[4-(trifluoromethoxy)phenyl]methanimidamide
PubChem CID134459357
Molecular FormulaC9H10F3N3O
Molecular Weight233.19 g/mol
Exact Mass233.08
IUPAC NameN-(methylamino)-N-[4-(trifluoromethoxy)phenyl]methanimidamide
SMILES[H]/N=C/N(NC)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C9H10F3N3O/c1-14-15(6-13)7-2-4-8(5-3-7)16-9(10,11)12/h2-6,13-14H,1H3/b13-6+
InChIKeyWPLXCFZHOJHXCS-AWNIVKPZSA-N
XLogP2.13
TPSA48.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.19
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', '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-(methylamino)-N-[4-(trifluoromethoxy)phenyl]methanimidamide?
The IUPAC name of N-(methylamino)-N-[4-(trifluoromethoxy)phenyl]methanimidamide (CID 134459357) is N-(methylamino)-N-[4-(trifluoromethoxy)phenyl]methanimidamide.
What is the SMILES notation for N-(methylamino)-N-[4-(trifluoromethoxy)phenyl]methanimidamide?
The canonical SMILES for N-(methylamino)-N-[4-(trifluoromethoxy)phenyl]methanimidamide is [H]/N=C/N(NC)c1ccc(OC(F)(F)F)cc1.
What is the InChIKey of N-(methylamino)-N-[4-(trifluoromethoxy)phenyl]methanimidamide?
The InChIKey is WPLXCFZHOJHXCS-AWNIVKPZSA-N. The full InChI is InChI=1S/C9H10F3N3O/c1-14-15(6-13)7-2-4-8(5-3-7)16-9(10,11)12/h2-6,13-14H,1H3/b13-6+.
What are the key properties of N-(methylamino)-N-[4-(trifluoromethoxy)phenyl]methanimidamide?
N-(methylamino)-N-[4-(trifluoromethoxy)phenyl]methanimidamide has a molecular weight of 233.19 g/mol, XLogP of 2.13, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(methylamino)-N-[4-(trifluoromethoxy)phenyl]methanimidamide is sourced from PubChem (CID 134459357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).