CID 59355302

C8H3BrF3N — CID 59355302

IUPAC—
SMILES[CH]c1nc(C(F)(F)F)cc(Br)c1[CH]
InChIInChI=1S/C8H3BrF3N/c1-4-5(2)13-7(3-6(4)9)8(10,11)12/h1-3H
InChIKeyMRGFHYKNRXARHP-UHFFFAOYSA-N
MW250.02 g/mol
LogP2.98
Rot. Bonds

About CID 59355302

CID 59355302 (PubChem CID 59355302) has the molecular formula C8H3BrF3N and a molecular weight of 250.02 g/mol.

Molecular Properties

Compound NameCID 59355302
PubChem CID59355302
Molecular FormulaC8H3BrF3N
Molecular Weight250.02 g/mol
Exact Mass248.94
IUPAC Name—
SMILES[CH]c1nc(C(F)(F)F)cc(Br)c1[CH]
InChIInChI=1S/C8H3BrF3N/c1-4-5(2)13-7(3-6(4)9)8(10,11)12/h1-3H
InChIKeyMRGFHYKNRXARHP-UHFFFAOYSA-N
XLogP2.98
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.02
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of CID 59355302?
The IUPAC name of CID 59355302 (CID 59355302) is not available.
What is the SMILES notation for CID 59355302?
The canonical SMILES for CID 59355302 is [CH]c1nc(C(F)(F)F)cc(Br)c1[CH].
What is the InChIKey of CID 59355302?
The InChIKey is MRGFHYKNRXARHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H3BrF3N/c1-4-5(2)13-7(3-6(4)9)8(10,11)12/h1-3H.
What are the key properties of CID 59355302?
CID 59355302 has a molecular weight of 250.02 g/mol, XLogP of 2.98, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59355302 is sourced from PubChem (CID 59355302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).