sodium 1,1,1,3,3,3-hexafluoropropane

C3HF6Na — CID 178182753

IUPACsodium 1,1,1,3,3,3-hexafluoropropane
SMILESFC(F)(F)[CH-]C(F)(F)F.[Na+]
InChIInChI=1S/C3HF6.Na/c4-2(5,6)1-3(7,8)9;/h1H;/q-1;+1
InChIKeyYTKBWBAGSUSKCX-UHFFFAOYSA-N
MW174.02 g/mol
LogP-0.68
Rot. Bonds

About sodium 1,1,1,3,3,3-hexafluoropropane

sodium 1,1,1,3,3,3-hexafluoropropane (PubChem CID 178182753) has the molecular formula C3HF6Na and a molecular weight of 174.02 g/mol. Its IUPAC name is sodium 1,1,1,3,3,3-hexafluoropropane.

Molecular Properties

Compound Namesodium 1,1,1,3,3,3-hexafluoropropane
PubChem CID178182753
Molecular FormulaC3HF6Na
Molecular Weight174.02 g/mol
Exact Mass173.99
IUPAC Namesodium 1,1,1,3,3,3-hexafluoropropane
SMILESFC(F)(F)[CH-]C(F)(F)F.[Na+]
InChIInChI=1S/C3HF6.Na/c4-2(5,6)1-3(7,8)9;/h1H;/q-1;+1
InChIKeyYTKBWBAGSUSKCX-UHFFFAOYSA-N
XLogP-0.68
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.02
LogP ≤ 5-0.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of sodium 1,1,1,3,3,3-hexafluoropropane?
The IUPAC name of sodium 1,1,1,3,3,3-hexafluoropropane (CID 178182753) is sodium 1,1,1,3,3,3-hexafluoropropane.
What is the SMILES notation for sodium 1,1,1,3,3,3-hexafluoropropane?
The canonical SMILES for sodium 1,1,1,3,3,3-hexafluoropropane is FC(F)(F)[CH-]C(F)(F)F.[Na+].
What is the InChIKey of sodium 1,1,1,3,3,3-hexafluoropropane?
The InChIKey is YTKBWBAGSUSKCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C3HF6.Na/c4-2(5,6)1-3(7,8)9;/h1H;/q-1;+1.
What are the key properties of sodium 1,1,1,3,3,3-hexafluoropropane?
sodium 1,1,1,3,3,3-hexafluoropropane has a molecular weight of 174.02 g/mol, XLogP of -0.68, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 1,1,1,3,3,3-hexafluoropropane is sourced from PubChem (CID 178182753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).