5,5,5-trifluoropentanoic acid

C5H7F3O2 — CID 2782446

IUPAC5,5,5-trifluoropentanoic acid
SMILESO=C(O)CCCC(F)(F)F
InChIInChI=1S/C5H7F3O2/c6-5(7,8)3-1-2-4(9)10/h1-3H2,(H,9,10)
InChIKeyRUEXKRNFAABHHU-UHFFFAOYSA-N
MW156.10 g/mol
LogP1.80
Rot. Bonds3

About 5,5,5-trifluoropentanoic acid

5,5,5-trifluoropentanoic acid (PubChem CID 2782446) has the molecular formula C5H7F3O2 and a molecular weight of 156.10 g/mol. Its IUPAC name is 5,5,5-trifluoropentanoic acid.

Molecular Properties

Compound Name5,5,5-trifluoropentanoic acid
PubChem CID2782446
Molecular FormulaC5H7F3O2
Molecular Weight156.10 g/mol
Exact Mass156.04
IUPAC Name5,5,5-trifluoropentanoic acid
SMILESO=C(O)CCCC(F)(F)F
InChIInChI=1S/C5H7F3O2/c6-5(7,8)3-1-2-4(9)10/h1-3H2,(H,9,10)
InChIKeyRUEXKRNFAABHHU-UHFFFAOYSA-N
XLogP1.80
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.10
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5,5,5-trifluoropentanoic acid?
The IUPAC name of 5,5,5-trifluoropentanoic acid (CID 2782446) is 5,5,5-trifluoropentanoic acid.
What is the SMILES notation for 5,5,5-trifluoropentanoic acid?
The canonical SMILES for 5,5,5-trifluoropentanoic acid is O=C(O)CCCC(F)(F)F.
What is the InChIKey of 5,5,5-trifluoropentanoic acid?
The InChIKey is RUEXKRNFAABHHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7F3O2/c6-5(7,8)3-1-2-4(9)10/h1-3H2,(H,9,10).
What are the key properties of 5,5,5-trifluoropentanoic acid?
5,5,5-trifluoropentanoic acid has a molecular weight of 156.10 g/mol, XLogP of 1.80, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5,5-trifluoropentanoic acid is sourced from PubChem (CID 2782446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).