CID 59369454

C9H9F3N2O2 — CID 59369454

IUPAC—
SMILES[CH]c1cc(C(=O)N(CC)CC(F)(F)F)no1
InChIInChI=1S/C9H9F3N2O2/c1-3-14(5-9(10,11)12)8(15)7-4-6(2)16-13-7/h2,4H,3,5H2,1H3
InChIKeyYGULJTHZORUFEN-UHFFFAOYSA-N
MW234.18 g/mol
LogP1.76
Rot. Bonds3

About CID 59369454

CID 59369454 (PubChem CID 59369454) has the molecular formula C9H9F3N2O2 and a molecular weight of 234.18 g/mol.

Molecular Properties

Compound NameCID 59369454
PubChem CID59369454
Molecular FormulaC9H9F3N2O2
Molecular Weight234.18 g/mol
Exact Mass234.06
IUPAC Name—
SMILES[CH]c1cc(C(=O)N(CC)CC(F)(F)F)no1
InChIInChI=1S/C9H9F3N2O2/c1-3-14(5-9(10,11)12)8(15)7-4-6(2)16-13-7/h2,4H,3,5H2,1H3
InChIKeyYGULJTHZORUFEN-UHFFFAOYSA-N
XLogP1.76
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.18
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of CID 59369454?
The IUPAC name of CID 59369454 (CID 59369454) is not available.
What is the SMILES notation for CID 59369454?
The canonical SMILES for CID 59369454 is [CH]c1cc(C(=O)N(CC)CC(F)(F)F)no1.
What is the InChIKey of CID 59369454?
The InChIKey is YGULJTHZORUFEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F3N2O2/c1-3-14(5-9(10,11)12)8(15)7-4-6(2)16-13-7/h2,4H,3,5H2,1H3.
What are the key properties of CID 59369454?
CID 59369454 has a molecular weight of 234.18 g/mol, XLogP of 1.76, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59369454 is sourced from PubChem (CID 59369454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).