1,3-difluoroprop-1-enyl methyl carbonate

C5H6F2O3 — CID 89437374

IUPAC1,3-difluoroprop-1-enyl methyl carbonate
SMILESCOC(=O)OC(F)=CCF
InChIInChI=1S/C5H6F2O3/c1-9-5(8)10-4(7)2-3-6/h2H,3H2,1H3
InChIKeyUCAIIDYTPKHSRB-UHFFFAOYSA-N
MW152.10 g/mol
LogP1.55
Rot. Bonds2

About 1,3-difluoroprop-1-enyl methyl carbonate

1,3-difluoroprop-1-enyl methyl carbonate (PubChem CID 89437374) has the molecular formula C5H6F2O3 and a molecular weight of 152.10 g/mol. Its IUPAC name is 1,3-difluoroprop-1-enyl methyl carbonate.

Molecular Properties

Compound Name1,3-difluoroprop-1-enyl methyl carbonate
PubChem CID89437374
Molecular FormulaC5H6F2O3
Molecular Weight152.10 g/mol
Exact Mass152.03
IUPAC Name1,3-difluoroprop-1-enyl methyl carbonate
SMILESCOC(=O)OC(F)=CCF
InChIInChI=1S/C5H6F2O3/c1-9-5(8)10-4(7)2-3-6/h2H,3H2,1H3
InChIKeyUCAIIDYTPKHSRB-UHFFFAOYSA-N
XLogP1.55
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.10
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,3-difluoroprop-1-enyl methyl carbonate?
The IUPAC name of 1,3-difluoroprop-1-enyl methyl carbonate (CID 89437374) is 1,3-difluoroprop-1-enyl methyl carbonate.
What is the SMILES notation for 1,3-difluoroprop-1-enyl methyl carbonate?
The canonical SMILES for 1,3-difluoroprop-1-enyl methyl carbonate is COC(=O)OC(F)=CCF.
What is the InChIKey of 1,3-difluoroprop-1-enyl methyl carbonate?
The InChIKey is UCAIIDYTPKHSRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6F2O3/c1-9-5(8)10-4(7)2-3-6/h2H,3H2,1H3.
What are the key properties of 1,3-difluoroprop-1-enyl methyl carbonate?
1,3-difluoroprop-1-enyl methyl carbonate has a molecular weight of 152.10 g/mol, XLogP of 1.55, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-difluoroprop-1-enyl methyl carbonate is sourced from PubChem (CID 89437374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).