CID 58450210

C10H11F3N2O — CID 58450210

IUPAC—
SMILES[CH]OC(c1cncn1CC1CC1)C(F)(F)F
InChIInChI=1S/C10H11F3N2O/c1-16-9(10(11,12)13)8-4-14-6-15(8)5-7-2-3-7/h1,4,6-7,9H,2-3,5H2
InChIKeyYRGQMXZPEWOYTI-UHFFFAOYSA-N
MW232.20 g/mol
LogP2.58
Rot. Bonds4

About CID 58450210

CID 58450210 (PubChem CID 58450210) has the molecular formula C10H11F3N2O and a molecular weight of 232.20 g/mol.

Molecular Properties

Compound NameCID 58450210
PubChem CID58450210
Molecular FormulaC10H11F3N2O
Molecular Weight232.20 g/mol
Exact Mass232.08
IUPAC Name—
SMILES[CH]OC(c1cncn1CC1CC1)C(F)(F)F
InChIInChI=1S/C10H11F3N2O/c1-16-9(10(11,12)13)8-4-14-6-15(8)5-7-2-3-7/h1,4,6-7,9H,2-3,5H2
InChIKeyYRGQMXZPEWOYTI-UHFFFAOYSA-N
XLogP2.58
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.20
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of CID 58450210?
The IUPAC name of CID 58450210 (CID 58450210) is not available.
What is the SMILES notation for CID 58450210?
The canonical SMILES for CID 58450210 is [CH]OC(c1cncn1CC1CC1)C(F)(F)F.
What is the InChIKey of CID 58450210?
The InChIKey is YRGQMXZPEWOYTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3N2O/c1-16-9(10(11,12)13)8-4-14-6-15(8)5-7-2-3-7/h1,4,6-7,9H,2-3,5H2.
What are the key properties of CID 58450210?
CID 58450210 has a molecular weight of 232.20 g/mol, XLogP of 2.58, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 58450210 is sourced from PubChem (CID 58450210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).