[4-fluoro-3-(trifluoromethyl)anilino]azanium chloride

C7H7ClF4N2 — CID 2774811

IUPAC[4-fluoro-3-(trifluoromethyl)anilino]azanium chloride
SMILES[Cl-].[NH3+]Nc1ccc(F)c(C(F)(F)F)c1
InChIInChI=1S/C7H6F4N2.ClH/c8-6-2-1-4(13-12)3-5(6)7(9,10)11;/h1-3,13H,12H2;1H
InChIKeyKBJZDPPQFFSNDS-UHFFFAOYSA-N
MW230.59 g/mol
LogP-1.58
Rot. Bonds1

About [4-fluoro-3-(trifluoromethyl)anilino]azanium chloride

[4-fluoro-3-(trifluoromethyl)anilino]azanium chloride (PubChem CID 2774811) has the molecular formula C7H7ClF4N2 and a molecular weight of 230.59 g/mol. Its IUPAC name is [4-fluoro-3-(trifluoromethyl)anilino]azanium chloride.

Molecular Properties

Compound Name[4-fluoro-3-(trifluoromethyl)anilino]azanium chloride
PubChem CID2774811
Molecular FormulaC7H7ClF4N2
Molecular Weight230.59 g/mol
Exact Mass230.02
IUPAC Name[4-fluoro-3-(trifluoromethyl)anilino]azanium chloride
SMILES[Cl-].[NH3+]Nc1ccc(F)c(C(F)(F)F)c1
InChIInChI=1S/C7H6F4N2.ClH/c8-6-2-1-4(13-12)3-5(6)7(9,10)11;/h1-3,13H,12H2;1H
InChIKeyKBJZDPPQFFSNDS-UHFFFAOYSA-N
XLogP-1.58
TPSA39.67 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.59
LogP ≤ 5-1.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

[4-fluoro-3-(trifluoromethyl)phenyl]hydrazine
CID 2774812
benzene;[4-fluoro-3-(trifluoromethyl)phenyl]carbamic acid
CID 174945939
[4-fluoro-3-(trifluoromethyl)phenyl]carbamodithioic acid
CID 88803293
4-fluoro-N-(2-methylsulfonylethyl)-3-(trifluoromethyl)aniline
CID 61230337
2-[4-fluoro-3-(trifluoromethyl)anilino]acetonitrile
CID 61229789
N-[4-fluoro-3-(trifluoromethyl)phenyl]cycloheptanamine
CID 63453853
1-[4-fluoro-3-(trifluoromethyl)phenyl]-3-methylurea
CID 47456942
N-[4-fluoro-3-(trifluoromethyl)phenyl]-2,2-dimethylpropanamide
CID 52774182
N-(3-ethylsulfonylpropyl)-4-fluoro-3-(trifluoromethyl)aniline
CID 65093044
4-fluoro-N-(1-pyridin-4-ylethyl)-3-(trifluoromethyl)aniline
CID 61227454
N-[4-fluoro-3-(trifluoromethyl)phenyl]cyclopropanecarboxamide
CID 47081962
3-[4-fluoro-3-(trifluoromethyl)anilino]propanoic acid
CID 61228436

Frequently Asked Questions

What is the IUPAC name of [4-fluoro-3-(trifluoromethyl)anilino]azanium chloride?
The IUPAC name of [4-fluoro-3-(trifluoromethyl)anilino]azanium chloride (CID 2774811) is [4-fluoro-3-(trifluoromethyl)anilino]azanium chloride.
What is the SMILES notation for [4-fluoro-3-(trifluoromethyl)anilino]azanium chloride?
The canonical SMILES for [4-fluoro-3-(trifluoromethyl)anilino]azanium chloride is [Cl-].[NH3+]Nc1ccc(F)c(C(F)(F)F)c1.
What is the InChIKey of [4-fluoro-3-(trifluoromethyl)anilino]azanium chloride?
The InChIKey is KBJZDPPQFFSNDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F4N2.ClH/c8-6-2-1-4(13-12)3-5(6)7(9,10)11;/h1-3,13H,12H2;1H.
What are the key properties of [4-fluoro-3-(trifluoromethyl)anilino]azanium chloride?
[4-fluoro-3-(trifluoromethyl)anilino]azanium chloride has a molecular weight of 230.59 g/mol, XLogP of -1.58, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [4-fluoro-3-(trifluoromethyl)anilino]azanium chloride is sourced from PubChem (CID 2774811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).