1-(trifluoromethoxy)-2-[2-[2-(trifluoromethoxy)anilino]hydrazinyl]benzene;hydrochloride

C14H12ClF6N3O2 — CID 87629751

IUPAC1-(trifluoromethoxy)-2-[2-[2-(trifluoromethoxy)anilino]hydrazinyl]benzene;hydrochloride
SMILESCl.FC(F)(F)Oc1ccccc1NNNc1ccccc1OC(F)(F)F
InChIInChI=1S/C14H11F6N3O2.ClH/c15-13(16,17)24-11-7-3-1-5-9(11)21-23-22-10-6-2-4-8-12(10)25-14(18,19)20;/h1-8,21-23H;1H
InChIKeyWQRGWANOXBOVSQ-UHFFFAOYSA-N
MW403.71 g/mol
LogP4.85
Rot. Bonds6

About 1-(trifluoromethoxy)-2-[2-[2-(trifluoromethoxy)anilino]hydrazinyl]benzene;hydrochloride

1-(trifluoromethoxy)-2-[2-[2-(trifluoromethoxy)anilino]hydrazinyl]benzene;hydrochloride (PubChem CID 87629751) has the molecular formula C14H12ClF6N3O2 and a molecular weight of 403.71 g/mol. Its IUPAC name is 1-(trifluoromethoxy)-2-[2-[2-(trifluoromethoxy)anilino]hydrazinyl]benzene;hydrochloride.

Molecular Properties

Compound Name1-(trifluoromethoxy)-2-[2-[2-(trifluoromethoxy)anilino]hydrazinyl]benzene;hydrochloride
PubChem CID87629751
Molecular FormulaC14H12ClF6N3O2
Molecular Weight403.71 g/mol
Exact Mass403.05
IUPAC Name1-(trifluoromethoxy)-2-[2-[2-(trifluoromethoxy)anilino]hydrazinyl]benzene;hydrochloride
SMILESCl.FC(F)(F)Oc1ccccc1NNNc1ccccc1OC(F)(F)F
InChIInChI=1S/C14H11F6N3O2.ClH/c15-13(16,17)24-11-7-3-1-5-9(11)21-23-22-10-6-2-4-8-12(10)25-14(18,19)20;/h1-8,21-23H;1H
InChIKeyWQRGWANOXBOVSQ-UHFFFAOYSA-N
XLogP4.85
TPSA54.55 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.71
LogP ≤ 54.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(trifluoromethoxy)-N-[2-(trifluoromethoxy)phenyl]aniline
CID 87491554
N-iodo-2-(trifluoromethoxy)aniline
CID 145093219
N-(2-bromoprop-2-enyl)-2-(trifluoromethoxy)aniline
CID 60874127
N-[2-(trifluoromethoxy)phenyl]nitramide
CID 70612792
N-(cyclopropylmethyl)-2-(trifluoromethoxy)aniline
CID 43560291
1-(trifluoromethoxy)-2-[2-(trifluoromethoxy)phenyl]benzene
CID 18785200
2-(trifluoromethoxy)-N-[2-(trifluoromethoxy)phenyl]benzenesulfonamide
CID 31071215
O-[2-(trifluoromethoxy)phenyl]hydroxylamine;hydrochloride
CID 162421871
2-(trifluoromethoxy)aniline;dihydrochloride
CID 69022411
N-[2-oxo-2-[2-[2-(trifluoromethoxy)phenyl]hydrazinyl]ethyl]formamide
CID 166385998
2-[[2-(trifluoromethoxy)anilino]methylidene]propanedinitrile
CID 27296814
1,1,1-trifluoro-3-[2-(trifluoromethoxy)anilino]propan-2-ol
CID 22675955

Frequently Asked Questions

What is the IUPAC name of 1-(trifluoromethoxy)-2-[2-[2-(trifluoromethoxy)anilino]hydrazinyl]benzene;hydrochloride?
The IUPAC name of 1-(trifluoromethoxy)-2-[2-[2-(trifluoromethoxy)anilino]hydrazinyl]benzene;hydrochloride (CID 87629751) is 1-(trifluoromethoxy)-2-[2-[2-(trifluoromethoxy)anilino]hydrazinyl]benzene;hydrochloride.
What is the SMILES notation for 1-(trifluoromethoxy)-2-[2-[2-(trifluoromethoxy)anilino]hydrazinyl]benzene;hydrochloride?
The canonical SMILES for 1-(trifluoromethoxy)-2-[2-[2-(trifluoromethoxy)anilino]hydrazinyl]benzene;hydrochloride is Cl.FC(F)(F)Oc1ccccc1NNNc1ccccc1OC(F)(F)F.
What is the InChIKey of 1-(trifluoromethoxy)-2-[2-[2-(trifluoromethoxy)anilino]hydrazinyl]benzene;hydrochloride?
The InChIKey is WQRGWANOXBOVSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F6N3O2.ClH/c15-13(16,17)24-11-7-3-1-5-9(11)21-23-22-10-6-2-4-8-12(10)25-14(18,19)20;/h1-8,21-23H;1H.
What are the key properties of 1-(trifluoromethoxy)-2-[2-[2-(trifluoromethoxy)anilino]hydrazinyl]benzene;hydrochloride?
1-(trifluoromethoxy)-2-[2-[2-(trifluoromethoxy)anilino]hydrazinyl]benzene;hydrochloride has a molecular weight of 403.71 g/mol, XLogP of 4.85, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(trifluoromethoxy)-2-[2-[2-(trifluoromethoxy)anilino]hydrazinyl]benzene;hydrochloride is sourced from PubChem (CID 87629751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).