CID 58450196

C8H9F3N2O — CID 58450196

IUPAC—
SMILES[CH]OC(c1cnc(C)n1C)C(F)(F)F
InChIInChI=1S/C8H9F3N2O/c1-5-12-4-6(13(5)2)7(14-3)8(9,10)11/h3-4,7H,1-2H3
InChIKeyIIKHONWOHWDSIE-UHFFFAOYSA-N
MW206.17 g/mol
LogP2.02
Rot. Bonds2

About CID 58450196

CID 58450196 (PubChem CID 58450196) has the molecular formula C8H9F3N2O and a molecular weight of 206.17 g/mol.

Molecular Properties

Compound NameCID 58450196
PubChem CID58450196
Molecular FormulaC8H9F3N2O
Molecular Weight206.17 g/mol
Exact Mass206.07
IUPAC Name—
SMILES[CH]OC(c1cnc(C)n1C)C(F)(F)F
InChIInChI=1S/C8H9F3N2O/c1-5-12-4-6(13(5)2)7(14-3)8(9,10)11/h3-4,7H,1-2H3
InChIKeyIIKHONWOHWDSIE-UHFFFAOYSA-N
XLogP2.02
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.17
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of CID 58450196?
The IUPAC name of CID 58450196 (CID 58450196) is not available.
What is the SMILES notation for CID 58450196?
The canonical SMILES for CID 58450196 is [CH]OC(c1cnc(C)n1C)C(F)(F)F.
What is the InChIKey of CID 58450196?
The InChIKey is IIKHONWOHWDSIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F3N2O/c1-5-12-4-6(13(5)2)7(14-3)8(9,10)11/h3-4,7H,1-2H3.
What are the key properties of CID 58450196?
CID 58450196 has a molecular weight of 206.17 g/mol, XLogP of 2.02, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 58450196 is sourced from PubChem (CID 58450196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).