CID 59369603

C11H11F3N2O — CID 59369603

IUPAC—
SMILES[CH]c1cccc(C(=O)N(CC)CC(F)(F)F)n1
InChIInChI=1S/C11H11F3N2O/c1-3-16(7-11(12,13)14)10(17)9-6-4-5-8(2)15-9/h2,4-6H,3,7H2,1H3
InChIKeyXXOKDQIEXBARHO-UHFFFAOYSA-N
MW244.22 g/mol
LogP2.17
Rot. Bonds3

About CID 59369603

CID 59369603 (PubChem CID 59369603) has the molecular formula C11H11F3N2O and a molecular weight of 244.22 g/mol.

Molecular Properties

Compound NameCID 59369603
PubChem CID59369603
Molecular FormulaC11H11F3N2O
Molecular Weight244.22 g/mol
Exact Mass244.08
IUPAC Name—
SMILES[CH]c1cccc(C(=O)N(CC)CC(F)(F)F)n1
InChIInChI=1S/C11H11F3N2O/c1-3-16(7-11(12,13)14)10(17)9-6-4-5-8(2)15-9/h2,4-6H,3,7H2,1H3
InChIKeyXXOKDQIEXBARHO-UHFFFAOYSA-N
XLogP2.17
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.22
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of CID 59369603?
The IUPAC name of CID 59369603 (CID 59369603) is not available.
What is the SMILES notation for CID 59369603?
The canonical SMILES for CID 59369603 is [CH]c1cccc(C(=O)N(CC)CC(F)(F)F)n1.
What is the InChIKey of CID 59369603?
The InChIKey is XXOKDQIEXBARHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3N2O/c1-3-16(7-11(12,13)14)10(17)9-6-4-5-8(2)15-9/h2,4-6H,3,7H2,1H3.
What are the key properties of CID 59369603?
CID 59369603 has a molecular weight of 244.22 g/mol, XLogP of 2.17, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59369603 is sourced from PubChem (CID 59369603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).