2,2,3,3-tetrafluoropropyl formate

C4H4F4O2 — CID 12839504

IUPAC2,2,3,3-tetrafluoropropyl formate
SMILESO=COCC(F)(F)C(F)F
InChIInChI=1S/C4H4F4O2/c5-3(6)4(7,8)1-10-2-9/h2-3H,1H2
InChIKeyMGGUINIFYAWUGP-UHFFFAOYSA-N
MW160.07 g/mol
LogP1.06
Rot. Bonds4

About 2,2,3,3-tetrafluoropropyl formate

2,2,3,3-tetrafluoropropyl formate (PubChem CID 12839504) has the molecular formula C4H4F4O2 and a molecular weight of 160.07 g/mol. Its IUPAC name is 2,2,3,3-tetrafluoropropyl formate.

Molecular Properties

Compound Name2,2,3,3-tetrafluoropropyl formate
PubChem CID12839504
Molecular FormulaC4H4F4O2
Molecular Weight160.07 g/mol
Exact Mass160.01
IUPAC Name2,2,3,3-tetrafluoropropyl formate
SMILESO=COCC(F)(F)C(F)F
InChIInChI=1S/C4H4F4O2/c5-3(6)4(7,8)1-10-2-9/h2-3H,1H2
InChIKeyMGGUINIFYAWUGP-UHFFFAOYSA-N
XLogP1.06
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.07
LogP ≤ 51.06
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 2,2,3,3-tetrafluoropropyl formate?
The IUPAC name of 2,2,3,3-tetrafluoropropyl formate (CID 12839504) is 2,2,3,3-tetrafluoropropyl formate.
What is the SMILES notation for 2,2,3,3-tetrafluoropropyl formate?
The canonical SMILES for 2,2,3,3-tetrafluoropropyl formate is O=COCC(F)(F)C(F)F.
What is the InChIKey of 2,2,3,3-tetrafluoropropyl formate?
The InChIKey is MGGUINIFYAWUGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4F4O2/c5-3(6)4(7,8)1-10-2-9/h2-3H,1H2.
What are the key properties of 2,2,3,3-tetrafluoropropyl formate?
2,2,3,3-tetrafluoropropyl formate has a molecular weight of 160.07 g/mol, XLogP of 1.06, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3-tetrafluoropropyl formate is sourced from PubChem (CID 12839504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).