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

C3HF6O- — CID 4080351

IUPAC1,1,1,3,3,3-hexafluoropropan-2-olate
SMILES[O-]C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C3HF6O/c4-2(5,6)1(10)3(7,8)9/h1H/q-1
InChIKeyTXCVYWXCUYQBQJ-UHFFFAOYSA-N
MW167.03 g/mol
LogP0.84
Rot. Bonds

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

1,1,1,3,3,3-hexafluoropropan-2-olate (PubChem CID 4080351) has the molecular formula C3HF6O- and a molecular weight of 167.03 g/mol. Its IUPAC name is 1,1,1,3,3,3-hexafluoropropan-2-olate.

Molecular Properties

Compound Name1,1,1,3,3,3-hexafluoropropan-2-olate
PubChem CID4080351
Molecular FormulaC3HF6O-
Molecular Weight167.03 g/mol
Exact Mass166.99
IUPAC Name1,1,1,3,3,3-hexafluoropropan-2-olate
SMILES[O-]C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C3HF6O/c4-2(5,6)1(10)3(7,8)9/h1H/q-1
InChIKeyTXCVYWXCUYQBQJ-UHFFFAOYSA-N
XLogP0.84
TPSA23.06 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.03
LogP ≤ 50.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,1,1,3,3,3-hexafluoropropan-2-olate?
The IUPAC name of 1,1,1,3,3,3-hexafluoropropan-2-olate (CID 4080351) is 1,1,1,3,3,3-hexafluoropropan-2-olate.
What is the SMILES notation for 1,1,1,3,3,3-hexafluoropropan-2-olate?
The canonical SMILES for 1,1,1,3,3,3-hexafluoropropan-2-olate is [O-]C(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1,1,1,3,3,3-hexafluoropropan-2-olate?
The InChIKey is TXCVYWXCUYQBQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C3HF6O/c4-2(5,6)1(10)3(7,8)9/h1H/q-1.
What are the key properties of 1,1,1,3,3,3-hexafluoropropan-2-olate?
1,1,1,3,3,3-hexafluoropropan-2-olate has a molecular weight of 167.03 g/mol, XLogP of 0.84, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,3,3,3-hexafluoropropan-2-olate is sourced from PubChem (CID 4080351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).