amino-[3-(trifluoromethoxy)phenyl]azanide

C7H6F3N2O- — CID 163702737

IUPACamino-[3-(trifluoromethoxy)phenyl]azanide
SMILESN[N-]c1cccc(OC(F)(F)F)c1
InChIInChI=1S/C7H6F3N2O/c8-7(9,10)13-6-3-1-2-5(4-6)12-11/h1-4H,11H2/q-1
InChIKeyKCLOKWSZQGWUQK-UHFFFAOYSA-N
MW191.13 g/mol
LogP2.46
Rot. Bonds2

About amino-[3-(trifluoromethoxy)phenyl]azanide

amino-[3-(trifluoromethoxy)phenyl]azanide (PubChem CID 163702737) has the molecular formula C7H6F3N2O- and a molecular weight of 191.13 g/mol. Its IUPAC name is amino-[3-(trifluoromethoxy)phenyl]azanide.

Molecular Properties

Compound Nameamino-[3-(trifluoromethoxy)phenyl]azanide
PubChem CID163702737
Molecular FormulaC7H6F3N2O-
Molecular Weight191.13 g/mol
Exact Mass191.04
IUPAC Nameamino-[3-(trifluoromethoxy)phenyl]azanide
SMILESN[N-]c1cccc(OC(F)(F)F)c1
InChIInChI=1S/C7H6F3N2O/c8-7(9,10)13-6-3-1-2-5(4-6)12-11/h1-4H,11H2/q-1
InChIKeyKCLOKWSZQGWUQK-UHFFFAOYSA-N
XLogP2.46
TPSA49.35 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.13
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1,3-bis[3-(trifluoromethoxy)phenoxy]benzene
CID 154161092
1-(trifluoromethoxy)-3-[[3-(trifluoromethoxy)phenyl]methyl]benzene
CID 87763466
bis[3-(trifluoromethoxy)phenyl]iodanium
CID 175669102
1-phenyl-3-(trifluoromethoxy)benzene
CID 46315186
ethane;1-methyl-3-(trifluoromethoxy)benzene
CID 142064343
1-(2-bromopropan-2-yloxy)-3-(trifluoromethoxy)benzene
CID 69380346
(1S)-2,2-difluoro-1-[3-(trifluoromethoxy)phenyl]ethanamine
CID 171249830
4-[3-(trifluoromethoxy)phenyl]pyridine
CID 46317167
2-[3-(trifluoromethoxy)phenyl]ethenamine
CID 141333954
3,5-bis[3-(trifluoromethoxy)phenyl]pyridine
CID 134623402
ethane;3-(trifluoromethoxy)phenol
CID 143201974
trifluoromethoxybenzene
CID 157402708

Frequently Asked Questions

What is the IUPAC name of amino-[3-(trifluoromethoxy)phenyl]azanide?
The IUPAC name of amino-[3-(trifluoromethoxy)phenyl]azanide (CID 163702737) is amino-[3-(trifluoromethoxy)phenyl]azanide.
What is the SMILES notation for amino-[3-(trifluoromethoxy)phenyl]azanide?
The canonical SMILES for amino-[3-(trifluoromethoxy)phenyl]azanide is N[N-]c1cccc(OC(F)(F)F)c1.
What is the InChIKey of amino-[3-(trifluoromethoxy)phenyl]azanide?
The InChIKey is KCLOKWSZQGWUQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F3N2O/c8-7(9,10)13-6-3-1-2-5(4-6)12-11/h1-4H,11H2/q-1.
What are the key properties of amino-[3-(trifluoromethoxy)phenyl]azanide?
amino-[3-(trifluoromethoxy)phenyl]azanide has a molecular weight of 191.13 g/mol, XLogP of 2.46, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for amino-[3-(trifluoromethoxy)phenyl]azanide is sourced from PubChem (CID 163702737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).