methanidyl-[[2-(trifluoromethoxy)phenyl]methyl]azanium

C9H10F3NO — CID 20723500

IUPACmethanidyl-[[2-(trifluoromethoxy)phenyl]methyl]azanium
SMILES[CH2-][NH2+]Cc1ccccc1OC(F)(F)F
InChIInChI=1S/C9H10F3NO/c1-13-6-7-4-2-3-5-8(7)14-9(10,11)12/h2-5H,1,6,13H2
InChIKeyGYTBSZWISXLBLO-UHFFFAOYSA-N
MW205.18 g/mol
LogP1.44
Rot. Bonds3

About methanidyl-[[2-(trifluoromethoxy)phenyl]methyl]azanium

methanidyl-[[2-(trifluoromethoxy)phenyl]methyl]azanium (PubChem CID 20723500) has the molecular formula C9H10F3NO and a molecular weight of 205.18 g/mol. Its IUPAC name is methanidyl-[[2-(trifluoromethoxy)phenyl]methyl]azanium.

Molecular Properties

Compound Namemethanidyl-[[2-(trifluoromethoxy)phenyl]methyl]azanium
PubChem CID20723500
Molecular FormulaC9H10F3NO
Molecular Weight205.18 g/mol
Exact Mass205.07
IUPAC Namemethanidyl-[[2-(trifluoromethoxy)phenyl]methyl]azanium
SMILES[CH2-][NH2+]Cc1ccccc1OC(F)(F)F
InChIInChI=1S/C9H10F3NO/c1-13-6-7-4-2-3-5-8(7)14-9(10,11)12/h2-5H,1,6,13H2
InChIKeyGYTBSZWISXLBLO-UHFFFAOYSA-N
XLogP1.44
TPSA25.84 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.18
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

CID 142546618
CID 142546618
1-[2-(trifluoromethoxy)phenyl]-N-[[2-(trifluoromethoxy)phenyl]methyl]methanamine
CID 112803590
ethane;1-ethyl-2-(trifluoromethoxy)benzene
CID 177219375
1-(chloromethoxymethyl)-2-(trifluoromethoxy)benzene
CID 166609590
1-(2-chloroethyl)-2-(trifluoromethoxy)benzene
CID 53433961
N-[[2-(trifluoromethoxy)phenyl]methyl]hydroxylamine
CID 82684299
dichloro-[[2-(trifluoromethoxy)phenyl]methyl]silane
CID 149252031
3-[2-(trifluoromethoxy)phenyl]propanenitrile
CID 53434364
1,5-bis[2-(trifluoromethoxy)phenyl]pentan-3-one
CID 174483817
1-chloro-4-[[2-(trifluoromethoxy)phenyl]methyl]benzene
CID 141398456
1-(trifluoromethoxy)-2-[2-(trifluoromethoxy)phenyl]benzene
CID 18785200
1-(2-methylphenyl)-N-[[2-(trifluoromethoxy)phenyl]methyl]methanamine
CID 60699442

Frequently Asked Questions

What is the IUPAC name of methanidyl-[[2-(trifluoromethoxy)phenyl]methyl]azanium?
The IUPAC name of methanidyl-[[2-(trifluoromethoxy)phenyl]methyl]azanium (CID 20723500) is methanidyl-[[2-(trifluoromethoxy)phenyl]methyl]azanium.
What is the SMILES notation for methanidyl-[[2-(trifluoromethoxy)phenyl]methyl]azanium?
The canonical SMILES for methanidyl-[[2-(trifluoromethoxy)phenyl]methyl]azanium is [CH2-][NH2+]Cc1ccccc1OC(F)(F)F.
What is the InChIKey of methanidyl-[[2-(trifluoromethoxy)phenyl]methyl]azanium?
The InChIKey is GYTBSZWISXLBLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3NO/c1-13-6-7-4-2-3-5-8(7)14-9(10,11)12/h2-5H,1,6,13H2.
What are the key properties of methanidyl-[[2-(trifluoromethoxy)phenyl]methyl]azanium?
methanidyl-[[2-(trifluoromethoxy)phenyl]methyl]azanium has a molecular weight of 205.18 g/mol, XLogP of 1.44, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for methanidyl-[[2-(trifluoromethoxy)phenyl]methyl]azanium is sourced from PubChem (CID 20723500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).