CID 172727919

CH2BF3LiO — CID 172727919

IUPAC—
SMILESC=O.FB(F)F.[Li]
InChIInChI=1S/CH2O.BF3.Li/c1-2;2-1(3)4;/h1H2;;
InChIKeyHJYDUGPDHHAWLN-UHFFFAOYSA-N
MW104.77 g/mol
LogP0.31
Rot. Bonds

About CID 172727919

CID 172727919 (PubChem CID 172727919) has the molecular formula CH2BF3LiO and a molecular weight of 104.77 g/mol.

Molecular Properties

Compound NameCID 172727919
PubChem CID172727919
Molecular FormulaCH2BF3LiO
Molecular Weight104.77 g/mol
Exact Mass105.03
IUPAC Name—
SMILESC=O.FB(F)F.[Li]
InChIInChI=1S/CH2O.BF3.Li/c1-2;2-1(3)4;/h1H2;;
InChIKeyHJYDUGPDHHAWLN-UHFFFAOYSA-N
XLogP0.31
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500104.77
LogP ≤ 50.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 172727919?
The IUPAC name of CID 172727919 (CID 172727919) is not available.
What is the SMILES notation for CID 172727919?
The canonical SMILES for CID 172727919 is C=O.FB(F)F.[Li].
What is the InChIKey of CID 172727919?
The InChIKey is HJYDUGPDHHAWLN-UHFFFAOYSA-N. The full InChI is InChI=1S/CH2O.BF3.Li/c1-2;2-1(3)4;/h1H2;;.
What are the key properties of CID 172727919?
CID 172727919 has a molecular weight of 104.77 g/mol, XLogP of 0.31, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 172727919 is sourced from PubChem (CID 172727919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).