CID 87918969

C2HClF2LiO2 — CID 87918969

IUPAC—
SMILESO=C(O)C(F)(F)Cl.[Li]
InChIInChI=1S/C2HClF2O2.Li/c3-2(4,5)1(6)7;/h(H,6,7);
InChIKeyHVASFPKETDJADM-UHFFFAOYSA-N
MW137.42 g/mol
LogP0.52
Rot. Bonds1

About CID 87918969

CID 87918969 (PubChem CID 87918969) has the molecular formula C2HClF2LiO2 and a molecular weight of 137.42 g/mol.

Molecular Properties

Compound NameCID 87918969
PubChem CID87918969
Molecular FormulaC2HClF2LiO2
Molecular Weight137.42 g/mol
Exact Mass136.98
IUPAC Name—
SMILESO=C(O)C(F)(F)Cl.[Li]
InChIInChI=1S/C2HClF2O2.Li/c3-2(4,5)1(6)7;/h(H,6,7);
InChIKeyHVASFPKETDJADM-UHFFFAOYSA-N
XLogP0.52
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.42
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 87918969?
The IUPAC name of CID 87918969 (CID 87918969) is not available.
What is the SMILES notation for CID 87918969?
The canonical SMILES for CID 87918969 is O=C(O)C(F)(F)Cl.[Li].
What is the InChIKey of CID 87918969?
The InChIKey is HVASFPKETDJADM-UHFFFAOYSA-N. The full InChI is InChI=1S/C2HClF2O2.Li/c3-2(4,5)1(6)7;/h(H,6,7);.
What are the key properties of CID 87918969?
CID 87918969 has a molecular weight of 137.42 g/mol, XLogP of 0.52, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 87918969 is sourced from PubChem (CID 87918969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).