[amino-[2-(trifluoromethoxy)phenyl]methylidene]azanium

C8H8F3N2O+ — CID 86295020

IUPAC[amino-[2-(trifluoromethoxy)phenyl]methylidene]azanium
SMILESNC(=[NH2+])c1ccccc1OC(F)(F)F
InChIInChI=1S/C8H7F3N2O/c9-8(10,11)14-6-4-2-1-3-5(6)7(12)13/h1-4H,(H3,12,13)/p+1
InChIKeyBTANPKGHNRNSDV-UHFFFAOYSA-O
MW205.16 g/mol
LogP0.05
Rot. Bonds2

About [amino-[2-(trifluoromethoxy)phenyl]methylidene]azanium

[amino-[2-(trifluoromethoxy)phenyl]methylidene]azanium (PubChem CID 86295020) has the molecular formula C8H8F3N2O+ and a molecular weight of 205.16 g/mol. Its IUPAC name is [amino-[2-(trifluoromethoxy)phenyl]methylidene]azanium.

Molecular Properties

Compound Name[amino-[2-(trifluoromethoxy)phenyl]methylidene]azanium
PubChem CID86295020
Molecular FormulaC8H8F3N2O+
Molecular Weight205.16 g/mol
Exact Mass205.06
IUPAC Name[amino-[2-(trifluoromethoxy)phenyl]methylidene]azanium
SMILESNC(=[NH2+])c1ccccc1OC(F)(F)F
InChIInChI=1S/C8H7F3N2O/c9-8(10,11)14-6-4-2-1-3-5(6)7(12)13/h1-4H,(H3,12,13)/p+1
InChIKeyBTANPKGHNRNSDV-UHFFFAOYSA-O
XLogP0.05
TPSA60.84 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.16
LogP ≤ 50.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2-(trifluoromethoxy)benzenecarboximidamide;hydrochloride
CID 21250688
2-(trifluoromethoxy)benzoate
CID 6933714
2-amino-2-phenyl-1-[2-(trifluoromethoxy)phenyl]ethanone
CID 116551144
2-[(2-methylpropan-2-yl)oxy]benzenecarbothioamide
CID 29002040
N,N-dimethyl-2-(trifluoromethoxy)benzamide
CID 133060382
[[2-(trifluoromethoxy)benzoyl]amino] 2,2,2-trifluoroacetate
CID 141176315
1-(trifluoromethoxy)-2-[2-(trifluoromethoxy)phenyl]benzene
CID 18785200
1-[(2E)-penta-2,4-dien-2-yl]-2-(trifluoromethoxy)benzene
CID 137454109
O-[2-(trifluoromethoxy)phenyl]hydroxylamine;hydrochloride
CID 162421871
2-(trifluoromethoxy)aniline;dihydrochloride
CID 69022411
N'-[2-(trifluoromethoxy)phenyl]ethanimidamide
CID 63173340
2-(dimethylamino)-1-[2-(trifluoromethoxy)phenyl]ethanone
CID 79018019

Frequently Asked Questions

What is the IUPAC name of [amino-[2-(trifluoromethoxy)phenyl]methylidene]azanium?
The IUPAC name of [amino-[2-(trifluoromethoxy)phenyl]methylidene]azanium (CID 86295020) is [amino-[2-(trifluoromethoxy)phenyl]methylidene]azanium.
What is the SMILES notation for [amino-[2-(trifluoromethoxy)phenyl]methylidene]azanium?
The canonical SMILES for [amino-[2-(trifluoromethoxy)phenyl]methylidene]azanium is NC(=[NH2+])c1ccccc1OC(F)(F)F.
What is the InChIKey of [amino-[2-(trifluoromethoxy)phenyl]methylidene]azanium?
The InChIKey is BTANPKGHNRNSDV-UHFFFAOYSA-O. The full InChI is InChI=1S/C8H7F3N2O/c9-8(10,11)14-6-4-2-1-3-5(6)7(12)13/h1-4H,(H3,12,13)/p+1.
What are the key properties of [amino-[2-(trifluoromethoxy)phenyl]methylidene]azanium?
[amino-[2-(trifluoromethoxy)phenyl]methylidene]azanium has a molecular weight of 205.16 g/mol, XLogP of 0.05, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [amino-[2-(trifluoromethoxy)phenyl]methylidene]azanium is sourced from PubChem (CID 86295020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).