sodium 3,3,3-trifluoropropan-1-olate

C3H4F3NaO — CID 87145443

IUPACsodium 3,3,3-trifluoropropan-1-olate
SMILES[Na+].[O-]CCC(F)(F)F
InChIInChI=1S/C3H4F3O.Na/c4-3(5,6)1-2-7;/h1-2H2;/q-1;+1
InChIKeyWELFBGSXCZXFDT-UHFFFAOYSA-N
MW136.05 g/mol
LogP-2.70
Rot. Bonds1

About sodium 3,3,3-trifluoropropan-1-olate

sodium 3,3,3-trifluoropropan-1-olate (PubChem CID 87145443) has the molecular formula C3H4F3NaO and a molecular weight of 136.05 g/mol. Its IUPAC name is sodium 3,3,3-trifluoropropan-1-olate.

Molecular Properties

Compound Namesodium 3,3,3-trifluoropropan-1-olate
PubChem CID87145443
Molecular FormulaC3H4F3NaO
Molecular Weight136.05 g/mol
Exact Mass136.01
IUPAC Namesodium 3,3,3-trifluoropropan-1-olate
SMILES[Na+].[O-]CCC(F)(F)F
InChIInChI=1S/C3H4F3O.Na/c4-3(5,6)1-2-7;/h1-2H2;/q-1;+1
InChIKeyWELFBGSXCZXFDT-UHFFFAOYSA-N
XLogP-2.70
TPSA23.06 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.05
LogP ≤ 5-2.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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CID 23722253
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CID 53637114
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CID 53653672
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CID 87800250
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CID 88972470
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CID 144673076
CID 144673076

Frequently Asked Questions

What is the IUPAC name of sodium 3,3,3-trifluoropropan-1-olate?
The IUPAC name of sodium 3,3,3-trifluoropropan-1-olate (CID 87145443) is sodium 3,3,3-trifluoropropan-1-olate.
What is the SMILES notation for sodium 3,3,3-trifluoropropan-1-olate?
The canonical SMILES for sodium 3,3,3-trifluoropropan-1-olate is [Na+].[O-]CCC(F)(F)F.
What is the InChIKey of sodium 3,3,3-trifluoropropan-1-olate?
The InChIKey is WELFBGSXCZXFDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H4F3O.Na/c4-3(5,6)1-2-7;/h1-2H2;/q-1;+1.
What are the key properties of sodium 3,3,3-trifluoropropan-1-olate?
sodium 3,3,3-trifluoropropan-1-olate has a molecular weight of 136.05 g/mol, XLogP of -2.70, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 3,3,3-trifluoropropan-1-olate is sourced from PubChem (CID 87145443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).