CID 165399456

C8H9AsF3N2 — CID 165399456

IUPAC—
SMILESC[As]c1c(C)nnc(C)c1C(F)(F)F
InChIInChI=1S/C8H9AsF3N2/c1-4-6(8(10,11)12)7(9-3)5(2)14-13-4/h1-3H3
InChIKeyCEFDPAUZDVMOCZ-UHFFFAOYSA-N
MW265.09 g/mol
LogP1.49
Rot. Bonds1

About CID 165399456

CID 165399456 (PubChem CID 165399456) has the molecular formula C8H9AsF3N2 and a molecular weight of 265.09 g/mol.

Molecular Properties

Compound NameCID 165399456
PubChem CID165399456
Molecular FormulaC8H9AsF3N2
Molecular Weight265.09 g/mol
Exact Mass264.99
IUPAC Name—
SMILESC[As]c1c(C)nnc(C)c1C(F)(F)F
InChIInChI=1S/C8H9AsF3N2/c1-4-6(8(10,11)12)7(9-3)5(2)14-13-4/h1-3H3
InChIKeyCEFDPAUZDVMOCZ-UHFFFAOYSA-N
XLogP1.49
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.09
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

4,6-dimethyl-5-(trifluoromethyl)pyrimidin-2-amine
CID 177041669
2,6-dimethyl-3,4,5-tris(trifluoromethyl)pyridine
CID 167619078
5-amino-2-chloro-6-methyl-4-(trifluoromethyl)pyridine-3-carboxamide
CID 141497614
5-amino-2,6-dimethyl-4-(trifluoromethyl)pyridine-3-carboxylic acid
CID 82389859
2,4,6-trimethyl-3,5-bis(trifluoromethyl)aniline
CID 71327551
3,4,5,6-tetrakis(trifluoromethyl)pyridazine
CID 12633182
3,6-bis(4-methylphenyl)-4,5-bis(trifluoromethyl)pyridazine
CID 15369982
3,4,6-trimethyl-5-(trifluoromethyl)pyridin-2-amine
CID 176974728
4-bromo-3-methyl-6-(trifluoromethyl)pyridazine
CID 91275540
3,6-dimethyl-4-(trifluoromethyl)pyridazine;ethane
CID 164557661
1-tert-butyl-5-methoxy-3-methyl-4-(trifluoromethyl)pyrazole
CID 146379055
1-tert-butyl-3,5-dimethyl-4-(trifluoromethyl)pyrazole
CID 146379292

Frequently Asked Questions

What is the IUPAC name of CID 165399456?
The IUPAC name of CID 165399456 (CID 165399456) is not available.
What is the SMILES notation for CID 165399456?
The canonical SMILES for CID 165399456 is C[As]c1c(C)nnc(C)c1C(F)(F)F.
What is the InChIKey of CID 165399456?
The InChIKey is CEFDPAUZDVMOCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9AsF3N2/c1-4-6(8(10,11)12)7(9-3)5(2)14-13-4/h1-3H3.
What are the key properties of CID 165399456?
CID 165399456 has a molecular weight of 265.09 g/mol, XLogP of 1.49, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 165399456 is sourced from PubChem (CID 165399456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).