2-methyl-5-(trifluoromethyl)benzene-4-id-1-amine;tungsten

C8H7F3NW- — CID 58729804

IUPAC2-methyl-5-(trifluoromethyl)benzene-4-id-1-amine;tungsten
SMILESCc1c[c-]c(C(F)(F)F)cc1N.[W]
InChIInChI=1S/C8H7F3N.W/c1-5-2-3-6(4-7(5)12)8(9,10)11;/h2,4H,12H2,1H3;/q-1;
InChIKeyPGRQPYVJHWPCBN-UHFFFAOYSA-N
MW357.99 g/mol
LogP2.39
Rot. Bonds

About 2-methyl-5-(trifluoromethyl)benzene-4-id-1-amine;tungsten

2-methyl-5-(trifluoromethyl)benzene-4-id-1-amine;tungsten (PubChem CID 58729804) has the molecular formula C8H7F3NW- and a molecular weight of 357.99 g/mol. Its IUPAC name is 2-methyl-5-(trifluoromethyl)benzene-4-id-1-amine;tungsten.

Molecular Properties

Compound Name2-methyl-5-(trifluoromethyl)benzene-4-id-1-amine;tungsten
PubChem CID58729804
Molecular FormulaC8H7F3NW-
Molecular Weight357.99 g/mol
Exact Mass358.00
IUPAC Name2-methyl-5-(trifluoromethyl)benzene-4-id-1-amine;tungsten
SMILESCc1c[c-]c(C(F)(F)F)cc1N.[W]
InChIInChI=1S/C8H7F3N.W/c1-5-2-3-6(4-7(5)12)8(9,10)11;/h2,4H,12H2,1H3;/q-1;
InChIKeyPGRQPYVJHWPCBN-UHFFFAOYSA-N
XLogP2.39
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.99
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(trifluoromethyl)benzene-4-id-1-amine;tungsten?
The IUPAC name of 2-methyl-5-(trifluoromethyl)benzene-4-id-1-amine;tungsten (CID 58729804) is 2-methyl-5-(trifluoromethyl)benzene-4-id-1-amine;tungsten.
What is the SMILES notation for 2-methyl-5-(trifluoromethyl)benzene-4-id-1-amine;tungsten?
The canonical SMILES for 2-methyl-5-(trifluoromethyl)benzene-4-id-1-amine;tungsten is Cc1c[c-]c(C(F)(F)F)cc1N.[W].
What is the InChIKey of 2-methyl-5-(trifluoromethyl)benzene-4-id-1-amine;tungsten?
The InChIKey is PGRQPYVJHWPCBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F3N.W/c1-5-2-3-6(4-7(5)12)8(9,10)11;/h2,4H,12H2,1H3;/q-1;.
What are the key properties of 2-methyl-5-(trifluoromethyl)benzene-4-id-1-amine;tungsten?
2-methyl-5-(trifluoromethyl)benzene-4-id-1-amine;tungsten has a molecular weight of 357.99 g/mol, XLogP of 2.39, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(trifluoromethyl)benzene-4-id-1-amine;tungsten is sourced from PubChem (CID 58729804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).