CID 58450219

C7H7F3N2O — CID 58450219

IUPAC—
SMILES[CH]OC(c1cncn1C)C(F)(F)F
InChIInChI=1S/C7H7F3N2O/c1-12-4-11-3-5(12)6(13-2)7(8,9)10/h2-4,6H,1H3
InChIKeyOYRMUAXQIJHGCR-UHFFFAOYSA-N
MW192.14 g/mol
LogP1.71
Rot. Bonds2

About CID 58450219

CID 58450219 (PubChem CID 58450219) has the molecular formula C7H7F3N2O and a molecular weight of 192.14 g/mol.

Molecular Properties

Compound NameCID 58450219
PubChem CID58450219
Molecular FormulaC7H7F3N2O
Molecular Weight192.14 g/mol
Exact Mass192.05
IUPAC Name—
SMILES[CH]OC(c1cncn1C)C(F)(F)F
InChIInChI=1S/C7H7F3N2O/c1-12-4-11-3-5(12)6(13-2)7(8,9)10/h2-4,6H,1H3
InChIKeyOYRMUAXQIJHGCR-UHFFFAOYSA-N
XLogP1.71
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.14
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of CID 58450219?
The IUPAC name of CID 58450219 (CID 58450219) is not available.
What is the SMILES notation for CID 58450219?
The canonical SMILES for CID 58450219 is [CH]OC(c1cncn1C)C(F)(F)F.
What is the InChIKey of CID 58450219?
The InChIKey is OYRMUAXQIJHGCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F3N2O/c1-12-4-11-3-5(12)6(13-2)7(8,9)10/h2-4,6H,1H3.
What are the key properties of CID 58450219?
CID 58450219 has a molecular weight of 192.14 g/mol, XLogP of 1.71, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 58450219 is sourced from PubChem (CID 58450219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).