(1,2-difluorocyclopropyl) formate

C4H4F2O2 — CID 90696388

IUPAC(1,2-difluorocyclopropyl) formate
SMILESO=COC1(F)CC1F
InChIInChI=1S/C4H4F2O2/c5-3-1-4(3,6)8-2-7/h2-3H,1H2
InChIKeyZMLFIPZKPFLEER-UHFFFAOYSA-N
MW122.07 g/mol
LogP0.57
Rot. Bonds2

About (1,2-difluorocyclopropyl) formate

(1,2-difluorocyclopropyl) formate (PubChem CID 90696388) has the molecular formula C4H4F2O2 and a molecular weight of 122.07 g/mol. Its IUPAC name is (1,2-difluorocyclopropyl) formate.

Molecular Properties

Compound Name(1,2-difluorocyclopropyl) formate
PubChem CID90696388
Molecular FormulaC4H4F2O2
Molecular Weight122.07 g/mol
Exact Mass122.02
IUPAC Name(1,2-difluorocyclopropyl) formate
SMILESO=COC1(F)CC1F
InChIInChI=1S/C4H4F2O2/c5-3-1-4(3,6)8-2-7/h2-3H,1H2
InChIKeyZMLFIPZKPFLEER-UHFFFAOYSA-N
XLogP0.57
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.07
LogP ≤ 50.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1,2-difluorocyclopropyl) formate?
The IUPAC name of (1,2-difluorocyclopropyl) formate (CID 90696388) is (1,2-difluorocyclopropyl) formate.
What is the SMILES notation for (1,2-difluorocyclopropyl) formate?
The canonical SMILES for (1,2-difluorocyclopropyl) formate is O=COC1(F)CC1F.
What is the InChIKey of (1,2-difluorocyclopropyl) formate?
The InChIKey is ZMLFIPZKPFLEER-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4F2O2/c5-3-1-4(3,6)8-2-7/h2-3H,1H2.
What are the key properties of (1,2-difluorocyclopropyl) formate?
(1,2-difluorocyclopropyl) formate has a molecular weight of 122.07 g/mol, XLogP of 0.57, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1,2-difluorocyclopropyl) formate is sourced from PubChem (CID 90696388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).