2-(1,1,2,2,3,3,3-heptafluoropropoxy)acetic acid

C5H3F7O3 — CID 71425833

IUPAC2-(1,1,2,2,3,3,3-heptafluoropropoxy)acetic acid
SMILESO=C(O)COC(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C5H3F7O3/c6-3(7,4(8,9)10)5(11,12)15-1-2(13)14/h1H2,(H,13,14)
InChIKeyPHFJMGZBPBUZQS-UHFFFAOYSA-N
MW244.06 g/mol
LogP1.88
Rot. Bonds4

About 2-(1,1,2,2,3,3,3-heptafluoropropoxy)acetic acid

2-(1,1,2,2,3,3,3-heptafluoropropoxy)acetic acid (PubChem CID 71425833) has the molecular formula C5H3F7O3 and a molecular weight of 244.06 g/mol. Its IUPAC name is 2-(1,1,2,2,3,3,3-heptafluoropropoxy)acetic acid.

Molecular Properties

Compound Name2-(1,1,2,2,3,3,3-heptafluoropropoxy)acetic acid
PubChem CID71425833
Molecular FormulaC5H3F7O3
Molecular Weight244.06 g/mol
Exact Mass244.00
IUPAC Name2-(1,1,2,2,3,3,3-heptafluoropropoxy)acetic acid
SMILESO=C(O)COC(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C5H3F7O3/c6-3(7,4(8,9)10)5(11,12)15-1-2(13)14/h1H2,(H,13,14)
InChIKeyPHFJMGZBPBUZQS-UHFFFAOYSA-N
XLogP1.88
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.06
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(1,1,2,2,3,3,3-heptafluoropropoxy)acetic acid?
The IUPAC name of 2-(1,1,2,2,3,3,3-heptafluoropropoxy)acetic acid (CID 71425833) is 2-(1,1,2,2,3,3,3-heptafluoropropoxy)acetic acid.
What is the SMILES notation for 2-(1,1,2,2,3,3,3-heptafluoropropoxy)acetic acid?
The canonical SMILES for 2-(1,1,2,2,3,3,3-heptafluoropropoxy)acetic acid is O=C(O)COC(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 2-(1,1,2,2,3,3,3-heptafluoropropoxy)acetic acid?
The InChIKey is PHFJMGZBPBUZQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3F7O3/c6-3(7,4(8,9)10)5(11,12)15-1-2(13)14/h1H2,(H,13,14).
What are the key properties of 2-(1,1,2,2,3,3,3-heptafluoropropoxy)acetic acid?
2-(1,1,2,2,3,3,3-heptafluoropropoxy)acetic acid has a molecular weight of 244.06 g/mol, XLogP of 1.88, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1,2,2,3,3,3-heptafluoropropoxy)acetic acid is sourced from PubChem (CID 71425833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).