2,2,3,3-tetrafluorobutyl carbonate

C5H5F4O3- — CID 53437010

IUPAC2,2,3,3-tetrafluorobutyl carbonate
SMILESCC(F)(F)C(F)(F)COC(=O)[O-]
InChIInChI=1S/C5H6F4O3/c1-4(6,7)5(8,9)2-12-3(10)11/h2H2,1H3,(H,10,11)/p-1
InChIKeyJQRHMMZYONHHPQ-UHFFFAOYSA-M
MW189.08 g/mol
LogP0.64
Rot. Bonds3

About 2,2,3,3-tetrafluorobutyl carbonate

2,2,3,3-tetrafluorobutyl carbonate (PubChem CID 53437010) has the molecular formula C5H5F4O3- and a molecular weight of 189.08 g/mol. Its IUPAC name is 2,2,3,3-tetrafluorobutyl carbonate.

Molecular Properties

Compound Name2,2,3,3-tetrafluorobutyl carbonate
PubChem CID53437010
Molecular FormulaC5H5F4O3-
Molecular Weight189.08 g/mol
Exact Mass189.02
IUPAC Name2,2,3,3-tetrafluorobutyl carbonate
SMILESCC(F)(F)C(F)(F)COC(=O)[O-]
InChIInChI=1S/C5H6F4O3/c1-4(6,7)5(8,9)2-12-3(10)11/h2H2,1H3,(H,10,11)/p-1
InChIKeyJQRHMMZYONHHPQ-UHFFFAOYSA-M
XLogP0.64
TPSA49.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.08
LogP ≤ 50.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2,2,3,3-tetrafluorobutyl carbonate 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

Methyl 2,2,2-trifluoroethyl carbonate
CID 17761042
Ethyl 2,2,2-trifluoroethyl carbonate
CID 21263423
Bis(2,2,3,3-tetrafluoropropyl) Carbonate
CID 11659296
Bis(2,2,3,3,4,4,4-heptafluorobutyl) carbonate
CID 11495583
2,2,3,3,4,4,4-Heptafluorobutyl methyl carbonate
CID 22104774
Bis(2,2,2-trifluoroethyl) Carbonate
CID 11447463
Ethyl 2,2,3,3-tetrafluoropropyl carbonate
CID 42634538
Bis(2,2-difluoroethyl) carbonate
CID 15985041
Methyl 2,2,3,3-tetrafluoropropyl carbonate
CID 21263425
Propyl 2,2,2-trifluoroethyl carbonate
CID 85868871
Bis-(tetrafluoropropyl)-carbonate
CID 87308878
Ethyl hexafluoroisopropyl carbonate
CID 54538262

Frequently Asked Questions

What is the IUPAC name of 2,2,3,3-tetrafluorobutyl carbonate?
The IUPAC name of 2,2,3,3-tetrafluorobutyl carbonate (CID 53437010) is 2,2,3,3-tetrafluorobutyl carbonate.
What is the SMILES notation for 2,2,3,3-tetrafluorobutyl carbonate?
The canonical SMILES for 2,2,3,3-tetrafluorobutyl carbonate is CC(F)(F)C(F)(F)COC(=O)[O-].
What is the InChIKey of 2,2,3,3-tetrafluorobutyl carbonate?
The InChIKey is JQRHMMZYONHHPQ-UHFFFAOYSA-M. The full InChI is InChI=1S/C5H6F4O3/c1-4(6,7)5(8,9)2-12-3(10)11/h2H2,1H3,(H,10,11)/p-1.
What are the key properties of 2,2,3,3-tetrafluorobutyl carbonate?
2,2,3,3-tetrafluorobutyl carbonate has a molecular weight of 189.08 g/mol, XLogP of 0.64, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3-tetrafluorobutyl carbonate is sourced from PubChem (CID 53437010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).