CID 58450312

C8H9F3N2O — CID 58450312

IUPAC—
SMILES[CH]OC(c1cncn1CC)C(F)(F)F
InChIInChI=1S/C8H9F3N2O/c1-3-13-5-12-4-6(13)7(14-2)8(9,10)11/h2,4-5,7H,3H2,1H3
InChIKeyWMMIQUSSKGXMLB-UHFFFAOYSA-N
MW206.17 g/mol
LogP2.19
Rot. Bonds3

About CID 58450312

CID 58450312 (PubChem CID 58450312) has the molecular formula C8H9F3N2O and a molecular weight of 206.17 g/mol.

Molecular Properties

Compound NameCID 58450312
PubChem CID58450312
Molecular FormulaC8H9F3N2O
Molecular Weight206.17 g/mol
Exact Mass206.07
IUPAC Name—
SMILES[CH]OC(c1cncn1CC)C(F)(F)F
InChIInChI=1S/C8H9F3N2O/c1-3-13-5-12-4-6(13)7(14-2)8(9,10)11/h2,4-5,7H,3H2,1H3
InChIKeyWMMIQUSSKGXMLB-UHFFFAOYSA-N
XLogP2.19
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.17
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of CID 58450312?
The IUPAC name of CID 58450312 (CID 58450312) is not available.
What is the SMILES notation for CID 58450312?
The canonical SMILES for CID 58450312 is [CH]OC(c1cncn1CC)C(F)(F)F.
What is the InChIKey of CID 58450312?
The InChIKey is WMMIQUSSKGXMLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F3N2O/c1-3-13-5-12-4-6(13)7(14-2)8(9,10)11/h2,4-5,7H,3H2,1H3.
What are the key properties of CID 58450312?
CID 58450312 has a molecular weight of 206.17 g/mol, XLogP of 2.19, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 58450312 is sourced from PubChem (CID 58450312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).