CID 58450225

C8H11F3O2 — CID 58450225

IUPAC—
SMILES[CH]OC(C1CCOCC1)C(F)(F)F
InChIInChI=1S/C8H11F3O2/c1-12-7(8(9,10)11)6-2-4-13-5-3-6/h1,6-7H,2-5H2
InChIKeyKIQUZHXCYIBAAV-UHFFFAOYSA-N
MW196.17 g/mol
LogP2.03
Rot. Bonds2

About CID 58450225

CID 58450225 (PubChem CID 58450225) has the molecular formula C8H11F3O2 and a molecular weight of 196.17 g/mol.

Molecular Properties

Compound NameCID 58450225
PubChem CID58450225
Molecular FormulaC8H11F3O2
Molecular Weight196.17 g/mol
Exact Mass196.07
IUPAC Name—
SMILES[CH]OC(C1CCOCC1)C(F)(F)F
InChIInChI=1S/C8H11F3O2/c1-12-7(8(9,10)11)6-2-4-13-5-3-6/h1,6-7H,2-5H2
InChIKeyKIQUZHXCYIBAAV-UHFFFAOYSA-N
XLogP2.03
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.17
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of CID 58450225?
The IUPAC name of CID 58450225 (CID 58450225) is not available.
What is the SMILES notation for CID 58450225?
The canonical SMILES for CID 58450225 is [CH]OC(C1CCOCC1)C(F)(F)F.
What is the InChIKey of CID 58450225?
The InChIKey is KIQUZHXCYIBAAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F3O2/c1-12-7(8(9,10)11)6-2-4-13-5-3-6/h1,6-7H,2-5H2.
What are the key properties of CID 58450225?
CID 58450225 has a molecular weight of 196.17 g/mol, XLogP of 2.03, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 58450225 is sourced from PubChem (CID 58450225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).