bis[(E)-3,3,3-trifluoroprop-1-enyl] carbonate

C7H4F6O3 — CID 87138013

IUPACbis[(E)-3,3,3-trifluoroprop-1-enyl] carbonate
SMILESO=C(O/C=C/C(F)(F)F)O/C=C/C(F)(F)F
InChIInChI=1S/C7H4F6O3/c8-6(9,10)1-3-15-5(14)16-4-2-7(11,12)13/h1-4H/b3-1+,4-2+
InChIKeyUKTQAOGKMXHTBC-ZPUQHVIOSA-N
MW250.09 g/mol
LogP3.29
Rot. Bonds2

About bis[(E)-3,3,3-trifluoroprop-1-enyl] carbonate

bis[(E)-3,3,3-trifluoroprop-1-enyl] carbonate (PubChem CID 87138013) has the molecular formula C7H4F6O3 and a molecular weight of 250.09 g/mol. Its IUPAC name is bis[(E)-3,3,3-trifluoroprop-1-enyl] carbonate.

Molecular Properties

Compound Namebis[(E)-3,3,3-trifluoroprop-1-enyl] carbonate
PubChem CID87138013
Molecular FormulaC7H4F6O3
Molecular Weight250.09 g/mol
Exact Mass250.01
IUPAC Namebis[(E)-3,3,3-trifluoroprop-1-enyl] carbonate
SMILESO=C(O/C=C/C(F)(F)F)O/C=C/C(F)(F)F
InChIInChI=1S/C7H4F6O3/c8-6(9,10)1-3-15-5(14)16-4-2-7(11,12)13/h1-4H/b3-1+,4-2+
InChIKeyUKTQAOGKMXHTBC-ZPUQHVIOSA-N
XLogP3.29
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.09
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze bis[(E)-3,3,3-trifluoroprop-1-enyl] 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

carbonic acid;1,1,1,4,4,4-hexafluorobut-2-ene
CID 160871889
(E)-3,3,3-trifluoro-1-fluorosulfonyloxyprop-1-ene
CID 91691162
4,4,4-trifluorobut-2-enoyl 4,4,4-trifluorobut-2-enoate
CID 87154543
bis[(E)-2-chloroethenyl] carbonate
CID 87127932
(E)-5,5,5-trifluoropent-3-en-2-one
CID 162111874
5,5,5-trifluoro-2-oxopent-3-enal
CID 175007710
lithium;bis(prop-1-enyl) carbonate;hydride
CID 174406437
bis(ethenyl) carbonate;ethene
CID 87073622
bis(3,3-dichloroprop-1-enyl) carbonate
CID 175158408
acetic acid;bis(prop-1-enyl) carbonate
CID 174787806
4,4,4-trifluorobut-2-enyl hydrogen carbonate
CID 90256502
6,6,6-trifluorohexa-2,4-dienamide
CID 54073864

Frequently Asked Questions

What is the IUPAC name of bis[(E)-3,3,3-trifluoroprop-1-enyl] carbonate?
The IUPAC name of bis[(E)-3,3,3-trifluoroprop-1-enyl] carbonate (CID 87138013) is bis[(E)-3,3,3-trifluoroprop-1-enyl] carbonate.
What is the SMILES notation for bis[(E)-3,3,3-trifluoroprop-1-enyl] carbonate?
The canonical SMILES for bis[(E)-3,3,3-trifluoroprop-1-enyl] carbonate is O=C(O/C=C/C(F)(F)F)O/C=C/C(F)(F)F.
What is the InChIKey of bis[(E)-3,3,3-trifluoroprop-1-enyl] carbonate?
The InChIKey is UKTQAOGKMXHTBC-ZPUQHVIOSA-N. The full InChI is InChI=1S/C7H4F6O3/c8-6(9,10)1-3-15-5(14)16-4-2-7(11,12)13/h1-4H/b3-1+,4-2+.
What are the key properties of bis[(E)-3,3,3-trifluoroprop-1-enyl] carbonate?
bis[(E)-3,3,3-trifluoroprop-1-enyl] carbonate has a molecular weight of 250.09 g/mol, XLogP of 3.29, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for bis[(E)-3,3,3-trifluoroprop-1-enyl] carbonate is sourced from PubChem (CID 87138013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).