1,1-difluoropropyl formate

C4H6F2O2 — CID 87480974

IUPAC1,1-difluoropropyl formate
SMILESCCC(F)(F)OC=O
InChIInChI=1S/C4H6F2O2/c1-2-4(5,6)8-3-7/h3H,2H2,1H3
InChIKeyMYPUSUOPVFKWCI-UHFFFAOYSA-N
MW124.09 g/mol
LogP1.16
Rot. Bonds3

About 1,1-difluoropropyl formate

1,1-difluoropropyl formate (PubChem CID 87480974) has the molecular formula C4H6F2O2 and a molecular weight of 124.09 g/mol. Its IUPAC name is 1,1-difluoropropyl formate.

Molecular Properties

Compound Name1,1-difluoropropyl formate
PubChem CID87480974
Molecular FormulaC4H6F2O2
Molecular Weight124.09 g/mol
Exact Mass124.03
IUPAC Name1,1-difluoropropyl formate
SMILESCCC(F)(F)OC=O
InChIInChI=1S/C4H6F2O2/c1-2-4(5,6)8-3-7/h3H,2H2,1H3
InChIKeyMYPUSUOPVFKWCI-UHFFFAOYSA-N
XLogP1.16
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.09
LogP ≤ 51.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1,1-difluoropropyl formate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,1-difluoropropyl formate?
The IUPAC name of 1,1-difluoropropyl formate (CID 87480974) is 1,1-difluoropropyl formate.
What is the SMILES notation for 1,1-difluoropropyl formate?
The canonical SMILES for 1,1-difluoropropyl formate is CCC(F)(F)OC=O.
What is the InChIKey of 1,1-difluoropropyl formate?
The InChIKey is MYPUSUOPVFKWCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6F2O2/c1-2-4(5,6)8-3-7/h3H,2H2,1H3.
What are the key properties of 1,1-difluoropropyl formate?
1,1-difluoropropyl formate has a molecular weight of 124.09 g/mol, XLogP of 1.16, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-difluoropropyl formate is sourced from PubChem (CID 87480974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).