CID 59369503

C9H9F2NOS — CID 59369503

IUPAC—
SMILES[CH]c1csc(C(=O)N(C)CC(F)F)c1
InChIInChI=1S/C9H9F2NOS/c1-6-3-7(14-5-6)9(13)12(2)4-8(10)11/h1,3,5,8H,4H2,2H3
InChIKeySPFWCSXEGSYIOA-UHFFFAOYSA-N
MW217.24 g/mol
LogP2.14
Rot. Bonds3

About CID 59369503

CID 59369503 (PubChem CID 59369503) has the molecular formula C9H9F2NOS and a molecular weight of 217.24 g/mol.

Molecular Properties

Compound NameCID 59369503
PubChem CID59369503
Molecular FormulaC9H9F2NOS
Molecular Weight217.24 g/mol
Exact Mass217.04
IUPAC Name—
SMILES[CH]c1csc(C(=O)N(C)CC(F)F)c1
InChIInChI=1S/C9H9F2NOS/c1-6-3-7(14-5-6)9(13)12(2)4-8(10)11/h1,3,5,8H,4H2,2H3
InChIKeySPFWCSXEGSYIOA-UHFFFAOYSA-N
XLogP2.14
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.24
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of CID 59369503?
The IUPAC name of CID 59369503 (CID 59369503) is not available.
What is the SMILES notation for CID 59369503?
The canonical SMILES for CID 59369503 is [CH]c1csc(C(=O)N(C)CC(F)F)c1.
What is the InChIKey of CID 59369503?
The InChIKey is SPFWCSXEGSYIOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F2NOS/c1-6-3-7(14-5-6)9(13)12(2)4-8(10)11/h1,3,5,8H,4H2,2H3.
What are the key properties of CID 59369503?
CID 59369503 has a molecular weight of 217.24 g/mol, XLogP of 2.14, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59369503 is sourced from PubChem (CID 59369503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).