CID 58450348

C9H5F3N2O — CID 58450348

IUPAC—
SMILES[CH]OC(c1ccc(C#N)nc1)C(F)(F)F
InChIInChI=1S/C9H5F3N2O/c1-15-8(9(10,11)12)6-2-3-7(4-13)14-5-6/h1-3,5,8H
InChIKeyVJSOWUGHKSHUHA-UHFFFAOYSA-N
MW214.15 g/mol
LogP2.24
Rot. Bonds2

About CID 58450348

CID 58450348 (PubChem CID 58450348) has the molecular formula C9H5F3N2O and a molecular weight of 214.15 g/mol.

Molecular Properties

Compound NameCID 58450348
PubChem CID58450348
Molecular FormulaC9H5F3N2O
Molecular Weight214.15 g/mol
Exact Mass214.04
IUPAC Name—
SMILES[CH]OC(c1ccc(C#N)nc1)C(F)(F)F
InChIInChI=1S/C9H5F3N2O/c1-15-8(9(10,11)12)6-2-3-7(4-13)14-5-6/h1-3,5,8H
InChIKeyVJSOWUGHKSHUHA-UHFFFAOYSA-N
XLogP2.24
TPSA45.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.15
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of CID 58450348?
The IUPAC name of CID 58450348 (CID 58450348) is not available.
What is the SMILES notation for CID 58450348?
The canonical SMILES for CID 58450348 is [CH]OC(c1ccc(C#N)nc1)C(F)(F)F.
What is the InChIKey of CID 58450348?
The InChIKey is VJSOWUGHKSHUHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5F3N2O/c1-15-8(9(10,11)12)6-2-3-7(4-13)14-5-6/h1-3,5,8H.
What are the key properties of CID 58450348?
CID 58450348 has a molecular weight of 214.15 g/mol, XLogP of 2.24, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 58450348 is sourced from PubChem (CID 58450348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).