sodium 1,1,1,3,3,3-hexafluoropropan-2-olate

C3HF6NaO — CID 23676101

IUPACsodium 1,1,1,3,3,3-hexafluoropropan-2-olate
SMILES[Na+].[O-]C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C3HF6O.Na/c4-2(5,6)1(10)3(7,8)9;/h1H;/q-1;+1
InChIKeyQSYXXZKGBYCYTI-UHFFFAOYSA-N
MW190.02 g/mol
LogP-2.16
Rot. Bonds

About sodium 1,1,1,3,3,3-hexafluoropropan-2-olate

sodium 1,1,1,3,3,3-hexafluoropropan-2-olate (PubChem CID 23676101) has the molecular formula C3HF6NaO and a molecular weight of 190.02 g/mol. Its IUPAC name is sodium 1,1,1,3,3,3-hexafluoropropan-2-olate.

Molecular Properties

Compound Namesodium 1,1,1,3,3,3-hexafluoropropan-2-olate
PubChem CID23676101
Molecular FormulaC3HF6NaO
Molecular Weight190.02 g/mol
Exact Mass189.98
IUPAC Namesodium 1,1,1,3,3,3-hexafluoropropan-2-olate
SMILES[Na+].[O-]C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C3HF6O.Na/c4-2(5,6)1(10)3(7,8)9;/h1H;/q-1;+1
InChIKeyQSYXXZKGBYCYTI-UHFFFAOYSA-N
XLogP-2.16
TPSA23.06 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.02
LogP ≤ 5-2.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

Sevoflurane
CID 5206
1,1,1,3,3,3-Hexafluoro-2-propaneolate
CID 4080351
2-(Difluoromethoxy)-1,1,1,3,3,3-hexafluoropropane
CID 10932890
Lithium 1,1,1,3,3,3-hexafluoropropan-2-olate
CID 23673051
Sodium;2,2,3,3,3-pentafluoropropan-1-olate
CID 23687168
2,2,3,3-Tetrafluoropropoxysodium
CID 23688787
d2-Hexafluoroisopropanol
CID 140845523
1,1,1,3,3,3-Hexafluoropropan-2-yl hypobromite
CID 172868430
1-(18F)fluoro-1,1,3,3,3-pentafluoro-2-(fluoromethoxy)propane
CID 172440854
2-[Dideuterio(fluoro)methoxy]-1,1,1,3,3,3-hexafluoropropane
CID 10176580
2-(Trifluoromethoxy)-1,1,1,3,3,3-hexafluoropropane
CID 11009932
2,2,2-Trifluoro-1-(trifluoromethyl)ethoxysulfur trifluoride
CID 12797938

Frequently Asked Questions

What is the IUPAC name of sodium 1,1,1,3,3,3-hexafluoropropan-2-olate?
The IUPAC name of sodium 1,1,1,3,3,3-hexafluoropropan-2-olate (CID 23676101) is sodium 1,1,1,3,3,3-hexafluoropropan-2-olate.
What is the SMILES notation for sodium 1,1,1,3,3,3-hexafluoropropan-2-olate?
The canonical SMILES for sodium 1,1,1,3,3,3-hexafluoropropan-2-olate is [Na+].[O-]C(C(F)(F)F)C(F)(F)F.
What is the InChIKey of sodium 1,1,1,3,3,3-hexafluoropropan-2-olate?
The InChIKey is QSYXXZKGBYCYTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C3HF6O.Na/c4-2(5,6)1(10)3(7,8)9;/h1H;/q-1;+1.
What are the key properties of sodium 1,1,1,3,3,3-hexafluoropropan-2-olate?
sodium 1,1,1,3,3,3-hexafluoropropan-2-olate has a molecular weight of 190.02 g/mol, XLogP of -2.16, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 1,1,1,3,3,3-hexafluoropropan-2-olate is sourced from PubChem (CID 23676101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).