[amino(hydrazinyl)methylidene]-[4-chloro-3-(trifluoromethyl)phenyl]azanium

C8H9ClF3N4+ — CID 59135399

IUPAC[amino(hydrazinyl)methylidene]-[4-chloro-3-(trifluoromethyl)phenyl]azanium
SMILESNN/C(N)=[NH+]/c1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C8H8ClF3N4/c9-6-2-1-4(15-7(13)16-14)3-5(6)8(10,11)12/h1-3H,14H2,(H3,13,15,16)/p+1
InChIKeyNHWDYSCXKVCYFS-UHFFFAOYSA-O
MW253.63 g/mol
LogP-0.15
Rot. Bonds1

About [amino(hydrazinyl)methylidene]-[4-chloro-3-(trifluoromethyl)phenyl]azanium

[amino(hydrazinyl)methylidene]-[4-chloro-3-(trifluoromethyl)phenyl]azanium (PubChem CID 59135399) has the molecular formula C8H9ClF3N4+ and a molecular weight of 253.63 g/mol. Its IUPAC name is [amino(hydrazinyl)methylidene]-[4-chloro-3-(trifluoromethyl)phenyl]azanium.

Molecular Properties

Compound Name[amino(hydrazinyl)methylidene]-[4-chloro-3-(trifluoromethyl)phenyl]azanium
PubChem CID59135399
Molecular FormulaC8H9ClF3N4+
Molecular Weight253.63 g/mol
Exact Mass253.05
IUPAC Name[amino(hydrazinyl)methylidene]-[4-chloro-3-(trifluoromethyl)phenyl]azanium
SMILESNN/C(N)=[NH+]/c1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C8H8ClF3N4/c9-6-2-1-4(15-7(13)16-14)3-5(6)8(10,11)12/h1-3H,14H2,(H3,13,15,16)/p+1
InChIKeyNHWDYSCXKVCYFS-UHFFFAOYSA-O
XLogP-0.15
TPSA78.04 Ų
H-Bond Donors4
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.63
LogP ≤ 5-0.15
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'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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Related Compounds

[amino-[4-chloro-3-(trifluoromethyl)anilino]methylidene]-[4-chloro-3-(trifluoromethyl)phenyl]azanium
CID 21065082
[4-chloro-3-(trifluoromethyl)phenyl]-(diaminomethylidene)azanium nitrate
CID 69060148
N-[4-chloro-3-(trifluoromethyl)phenyl]hydroxylamine;hydrochloride
CID 23155082
1-[4-chloro-3-(trifluoromethyl)phenyl]cyclohexan-1-ol
CID 19261885
CID 162603813
CID 162603813
1-[4-chloro-3-(trifluoromethyl)phenyl]cyclopropan-1-amine;hydrochloride
CID 170897906
1,3-bis[4-chloro-3-(trifluoromethyl)phenyl]thiourea
CID 4763346
[4-chloro-3-(trifluoromethyl)phenyl]methanol
CID 2778111
3-amino-N-[4-chloro-3-(trifluoromethyl)phenyl]-3-sulfanylidenepropanamide
CID 43132915
1,2-dichloro-4-[4-chloro-3-(trifluoromethyl)phenyl]benzene
CID 118805005
[(Z)-3-amino-1-[4-chloro-3-(trifluoromethyl)phenoxy]but-2-enylidene]azanium
CID 147668541
3-amino-N-[4-chloro-3-(trifluoromethyl)phenyl]-2,2-dimethylpropanamide;hydrochloride
CID 119675447

Frequently Asked Questions

What is the IUPAC name of [amino(hydrazinyl)methylidene]-[4-chloro-3-(trifluoromethyl)phenyl]azanium?
The IUPAC name of [amino(hydrazinyl)methylidene]-[4-chloro-3-(trifluoromethyl)phenyl]azanium (CID 59135399) is [amino(hydrazinyl)methylidene]-[4-chloro-3-(trifluoromethyl)phenyl]azanium.
What is the SMILES notation for [amino(hydrazinyl)methylidene]-[4-chloro-3-(trifluoromethyl)phenyl]azanium?
The canonical SMILES for [amino(hydrazinyl)methylidene]-[4-chloro-3-(trifluoromethyl)phenyl]azanium is NN/C(N)=[NH+]/c1ccc(Cl)c(C(F)(F)F)c1.
What is the InChIKey of [amino(hydrazinyl)methylidene]-[4-chloro-3-(trifluoromethyl)phenyl]azanium?
The InChIKey is NHWDYSCXKVCYFS-UHFFFAOYSA-O. The full InChI is InChI=1S/C8H8ClF3N4/c9-6-2-1-4(15-7(13)16-14)3-5(6)8(10,11)12/h1-3H,14H2,(H3,13,15,16)/p+1.
What are the key properties of [amino(hydrazinyl)methylidene]-[4-chloro-3-(trifluoromethyl)phenyl]azanium?
[amino(hydrazinyl)methylidene]-[4-chloro-3-(trifluoromethyl)phenyl]azanium has a molecular weight of 253.63 g/mol, XLogP of -0.15, 1 rotatable bonds, 4 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [amino(hydrazinyl)methylidene]-[4-chloro-3-(trifluoromethyl)phenyl]azanium is sourced from PubChem (CID 59135399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).