CID 58450284

C6H3BrF3NOS — CID 58450284

IUPAC—
SMILES[CH]OC(c1cnc(Br)s1)C(F)(F)F
InChIInChI=1S/C6H3BrF3NOS/c1-12-4(6(8,9)10)3-2-11-5(7)13-3/h1-2,4H
InChIKeyNJUXMJDJOZPERV-UHFFFAOYSA-N
MW274.06 g/mol
LogP3.19
Rot. Bonds2

About CID 58450284

CID 58450284 (PubChem CID 58450284) has the molecular formula C6H3BrF3NOS and a molecular weight of 274.06 g/mol.

Molecular Properties

Compound NameCID 58450284
PubChem CID58450284
Molecular FormulaC6H3BrF3NOS
Molecular Weight274.06 g/mol
Exact Mass272.91
IUPAC Name—
SMILES[CH]OC(c1cnc(Br)s1)C(F)(F)F
InChIInChI=1S/C6H3BrF3NOS/c1-12-4(6(8,9)10)3-2-11-5(7)13-3/h1-2,4H
InChIKeyNJUXMJDJOZPERV-UHFFFAOYSA-N
XLogP3.19
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.06
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of CID 58450284?
The IUPAC name of CID 58450284 (CID 58450284) is not available.
What is the SMILES notation for CID 58450284?
The canonical SMILES for CID 58450284 is [CH]OC(c1cnc(Br)s1)C(F)(F)F.
What is the InChIKey of CID 58450284?
The InChIKey is NJUXMJDJOZPERV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3BrF3NOS/c1-12-4(6(8,9)10)3-2-11-5(7)13-3/h1-2,4H.
What are the key properties of CID 58450284?
CID 58450284 has a molecular weight of 274.06 g/mol, XLogP of 3.19, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 58450284 is sourced from PubChem (CID 58450284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).