1,1,2,2,2-pentafluoroethoxycarbonyl formate

C4HF5O4 — CID 174676500

IUPAC1,1,2,2,2-pentafluoroethoxycarbonyl formate
SMILESO=COC(=O)OC(F)(F)C(F)(F)F
InChIInChI=1S/C4HF5O4/c5-3(6,7)4(8,9)13-2(11)12-1-10/h1H
InChIKeyYAFIZZNQMCKDSX-UHFFFAOYSA-N
MW208.04 g/mol
LogP1.45
Rot. Bonds2

About 1,1,2,2,2-pentafluoroethoxycarbonyl formate

1,1,2,2,2-pentafluoroethoxycarbonyl formate (PubChem CID 174676500) has the molecular formula C4HF5O4 and a molecular weight of 208.04 g/mol. Its IUPAC name is 1,1,2,2,2-pentafluoroethoxycarbonyl formate.

Molecular Properties

Compound Name1,1,2,2,2-pentafluoroethoxycarbonyl formate
PubChem CID174676500
Molecular FormulaC4HF5O4
Molecular Weight208.04 g/mol
Exact Mass207.98
IUPAC Name1,1,2,2,2-pentafluoroethoxycarbonyl formate
SMILESO=COC(=O)OC(F)(F)C(F)(F)F
InChIInChI=1S/C4HF5O4/c5-3(6,7)4(8,9)13-2(11)12-1-10/h1H
InChIKeyYAFIZZNQMCKDSX-UHFFFAOYSA-N
XLogP1.45
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.04
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

Analyze 1,1,2,2,2-pentafluoroethoxycarbonyl formate with MolForge

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

Launch Full Analysis

Related Compounds

difluoromethyl 1,1,2,2,2-pentafluoroethyl carbonate
CID 140587327
bis(1,1,2,2,2-pentafluoroethyl) (Z)-but-2-enedioate
CID 87522002
bis(1,1,2,2,2-pentafluoroethyl) carbonate;ethyl 1,1,2,2,2-pentafluoroethyl carbonate
CID 161279187
2-(1,1,2,2,2-pentafluoroethoxycarbonyl)but-2-enoic acid
CID 151447606
1,1,2,2,3,3,3-heptafluoropropyl methyl carbonate
CID 23432502
formyloxycarbonyl-λ2-plumbane
CID 173056435
bis(trifluoromethyl) carbonate
CID 21263525
[1,1,1,3,3,4,4-heptafluoro-4-formyloxy-2-(trifluoromethyl)butan-2-yl] 2,2,3,3,3-pentafluoropropanoate
CID 20760912
1,1,2,2,2-pentafluoroethyl 2,2-difluoro-2-(1,1,2,2,3,3,4,4,4-nonafluorobutoxy)acetate
CID 174348525
formyl 2,2,2-trichloroacetate
CID 57087058
carboxy formate;nickel
CID 88728514
ethenyl 2,2,3,3,3-pentafluoropropyl carbonate
CID 164944791

Frequently Asked Questions

What is the IUPAC name of 1,1,2,2,2-pentafluoroethoxycarbonyl formate?
The IUPAC name of 1,1,2,2,2-pentafluoroethoxycarbonyl formate (CID 174676500) is 1,1,2,2,2-pentafluoroethoxycarbonyl formate.
What is the SMILES notation for 1,1,2,2,2-pentafluoroethoxycarbonyl formate?
The canonical SMILES for 1,1,2,2,2-pentafluoroethoxycarbonyl formate is O=COC(=O)OC(F)(F)C(F)(F)F.
What is the InChIKey of 1,1,2,2,2-pentafluoroethoxycarbonyl formate?
The InChIKey is YAFIZZNQMCKDSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C4HF5O4/c5-3(6,7)4(8,9)13-2(11)12-1-10/h1H.
What are the key properties of 1,1,2,2,2-pentafluoroethoxycarbonyl formate?
1,1,2,2,2-pentafluoroethoxycarbonyl formate has a molecular weight of 208.04 g/mol, XLogP of 1.45, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,2,2-pentafluoroethoxycarbonyl formate is sourced from PubChem (CID 174676500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).