CID 87757154

C3F6NaO — CID 87757154

IUPAC—
SMILESFC(F)(F)C1(F)OC1(F)F.[Na]
InChIInChI=1S/C3F6O.Na/c4-1(2(5,6)7)3(8,9)10-1;
InChIKeyVATUGQYWLLZDNB-UHFFFAOYSA-N
MW189.01 g/mol
LogP1.46
Rot. Bonds

About CID 87757154

CID 87757154 (PubChem CID 87757154) has the molecular formula C3F6NaO and a molecular weight of 189.01 g/mol.

Molecular Properties

Compound NameCID 87757154
PubChem CID87757154
Molecular FormulaC3F6NaO
Molecular Weight189.01 g/mol
Exact Mass188.98
IUPAC Name—
SMILESFC(F)(F)C1(F)OC1(F)F.[Na]
InChIInChI=1S/C3F6O.Na/c4-1(2(5,6)7)3(8,9)10-1;
InChIKeyVATUGQYWLLZDNB-UHFFFAOYSA-N
XLogP1.46
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.01
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 87757154?
The IUPAC name of CID 87757154 (CID 87757154) is not available.
What is the SMILES notation for CID 87757154?
The canonical SMILES for CID 87757154 is FC(F)(F)C1(F)OC1(F)F.[Na].
What is the InChIKey of CID 87757154?
The InChIKey is VATUGQYWLLZDNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C3F6O.Na/c4-1(2(5,6)7)3(8,9)10-1;.
What are the key properties of CID 87757154?
CID 87757154 has a molecular weight of 189.01 g/mol, XLogP of 1.46, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 87757154 is sourced from PubChem (CID 87757154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).