CID 58450204

C7H7F3N2O — CID 58450204

IUPAC—
SMILES[CH]OC(c1nccn1C)C(F)(F)F
InChIInChI=1S/C7H7F3N2O/c1-12-4-3-11-6(12)5(13-2)7(8,9)10/h2-5H,1H3
InChIKeyMEWIVKMJIQLMKL-UHFFFAOYSA-N
MW192.14 g/mol
LogP1.71
Rot. Bonds2

About CID 58450204

CID 58450204 (PubChem CID 58450204) has the molecular formula C7H7F3N2O and a molecular weight of 192.14 g/mol.

Molecular Properties

Compound NameCID 58450204
PubChem CID58450204
Molecular FormulaC7H7F3N2O
Molecular Weight192.14 g/mol
Exact Mass192.05
IUPAC Name—
SMILES[CH]OC(c1nccn1C)C(F)(F)F
InChIInChI=1S/C7H7F3N2O/c1-12-4-3-11-6(12)5(13-2)7(8,9)10/h2-5H,1H3
InChIKeyMEWIVKMJIQLMKL-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 58450204?
The IUPAC name of CID 58450204 (CID 58450204) is not available.
What is the SMILES notation for CID 58450204?
The canonical SMILES for CID 58450204 is [CH]OC(c1nccn1C)C(F)(F)F.
What is the InChIKey of CID 58450204?
The InChIKey is MEWIVKMJIQLMKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F3N2O/c1-12-4-3-11-6(12)5(13-2)7(8,9)10/h2-5H,1H3.
What are the key properties of CID 58450204?
CID 58450204 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 58450204 is sourced from PubChem (CID 58450204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).