3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)propanoic acid

C6H6F6O3 — CID 102685236

IUPAC3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)propanoic acid
SMILESO=C(O)CCOC(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C6H6F6O3/c7-5(8,9)4(6(10,11)12)15-2-1-3(13)14/h4H,1-2H2,(H,13,14)
InChIKeyBURPADNRJRIMNW-UHFFFAOYSA-N
MW240.10 g/mol
LogP1.97
Rot. Bonds4

About 3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)propanoic acid

3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)propanoic acid (PubChem CID 102685236) has the molecular formula C6H6F6O3 and a molecular weight of 240.10 g/mol. Its IUPAC name is 3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)propanoic acid.

Molecular Properties

Compound Name3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)propanoic acid
PubChem CID102685236
Molecular FormulaC6H6F6O3
Molecular Weight240.10 g/mol
Exact Mass240.02
IUPAC Name3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)propanoic acid
SMILESO=C(O)CCOC(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C6H6F6O3/c7-5(8,9)4(6(10,11)12)15-2-1-3(13)14/h4H,1-2H2,(H,13,14)
InChIKeyBURPADNRJRIMNW-UHFFFAOYSA-N
XLogP1.97
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.10
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)propanoic acid?
The IUPAC name of 3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)propanoic acid (CID 102685236) is 3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)propanoic acid.
What is the SMILES notation for 3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)propanoic acid?
The canonical SMILES for 3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)propanoic acid is O=C(O)CCOC(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)propanoic acid?
The InChIKey is BURPADNRJRIMNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6F6O3/c7-5(8,9)4(6(10,11)12)15-2-1-3(13)14/h4H,1-2H2,(H,13,14).
What are the key properties of 3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)propanoic acid?
3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)propanoic acid has a molecular weight of 240.10 g/mol, XLogP of 1.97, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)propanoic acid is sourced from PubChem (CID 102685236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).