1,1,2,2-tetrafluoropropyl formate

C4H4F4O2 — CID 20760911

IUPAC1,1,2,2-tetrafluoropropyl formate
SMILESCC(F)(F)C(F)(F)OC=O
InChIInChI=1S/C4H4F4O2/c1-3(5,6)4(7,8)10-2-9/h2H,1H3
InChIKeyDAWKOMGWJGKVMK-UHFFFAOYSA-N
MW160.07 g/mol
LogP1.41
Rot. Bonds3

About 1,1,2,2-tetrafluoropropyl formate

1,1,2,2-tetrafluoropropyl formate (PubChem CID 20760911) has the molecular formula C4H4F4O2 and a molecular weight of 160.07 g/mol. Its IUPAC name is 1,1,2,2-tetrafluoropropyl formate.

Molecular Properties

Compound Name1,1,2,2-tetrafluoropropyl formate
PubChem CID20760911
Molecular FormulaC4H4F4O2
Molecular Weight160.07 g/mol
Exact Mass160.01
IUPAC Name1,1,2,2-tetrafluoropropyl formate
SMILESCC(F)(F)C(F)(F)OC=O
InChIInChI=1S/C4H4F4O2/c1-3(5,6)4(7,8)10-2-9/h2H,1H3
InChIKeyDAWKOMGWJGKVMK-UHFFFAOYSA-N
XLogP1.41
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.07
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,1,2,2-tetrafluoropropyl formate?
The IUPAC name of 1,1,2,2-tetrafluoropropyl formate (CID 20760911) is 1,1,2,2-tetrafluoropropyl formate.
What is the SMILES notation for 1,1,2,2-tetrafluoropropyl formate?
The canonical SMILES for 1,1,2,2-tetrafluoropropyl formate is CC(F)(F)C(F)(F)OC=O.
What is the InChIKey of 1,1,2,2-tetrafluoropropyl formate?
The InChIKey is DAWKOMGWJGKVMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4F4O2/c1-3(5,6)4(7,8)10-2-9/h2H,1H3.
What are the key properties of 1,1,2,2-tetrafluoropropyl formate?
1,1,2,2-tetrafluoropropyl formate has a molecular weight of 160.07 g/mol, XLogP of 1.41, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,2-tetrafluoropropyl formate is sourced from PubChem (CID 20760911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).