CID 87138094

C3H3F3LiO2 — CID 87138094

IUPAC—
SMILESCC(=O)OC(F)(F)F.[Li]
InChIInChI=1S/C3H3F3O2.Li/c1-2(7)8-3(4,5)6;/h1H3;
InChIKeyYIXQNMXBGCXSMP-UHFFFAOYSA-N
MW134.99 g/mol
LogP0.69
Rot. Bonds

About CID 87138094

CID 87138094 (PubChem CID 87138094) has the molecular formula C3H3F3LiO2 and a molecular weight of 134.99 g/mol.

Molecular Properties

Compound NameCID 87138094
PubChem CID87138094
Molecular FormulaC3H3F3LiO2
Molecular Weight134.99 g/mol
Exact Mass135.02
IUPAC Name—
SMILESCC(=O)OC(F)(F)F.[Li]
InChIInChI=1S/C3H3F3O2.Li/c1-2(7)8-3(4,5)6;/h1H3;
InChIKeyYIXQNMXBGCXSMP-UHFFFAOYSA-N
XLogP0.69
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.99
LogP ≤ 50.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of CID 87138094?
The IUPAC name of CID 87138094 (CID 87138094) is not available.
What is the SMILES notation for CID 87138094?
The canonical SMILES for CID 87138094 is CC(=O)OC(F)(F)F.[Li].
What is the InChIKey of CID 87138094?
The InChIKey is YIXQNMXBGCXSMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H3F3O2.Li/c1-2(7)8-3(4,5)6;/h1H3;.
What are the key properties of CID 87138094?
CID 87138094 has a molecular weight of 134.99 g/mol, XLogP of 0.69, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 87138094 is sourced from PubChem (CID 87138094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).