[(E)-3-(2,2,3,3-tetrafluoropropoxy)prop-1-enyl] hydrogen carbonate

C7H8F4O4 — CID 138726518

IUPAC[(E)-3-(2,2,3,3-tetrafluoropropoxy)prop-1-enyl] hydrogen carbonate
SMILESO=C(O)O/C=C/COCC(F)(F)C(F)F
InChIInChI=1S/C7H8F4O4/c8-5(9)7(10,11)4-14-2-1-3-15-6(12)13/h1,3,5H,2,4H2,(H,12,13)/b3-1+
InChIKeySIEGXCOVMFQQSS-HNQUOIGGSA-N
MW232.13 g/mol
LogP2.11
Rot. Bonds6

About [(E)-3-(2,2,3,3-tetrafluoropropoxy)prop-1-enyl] hydrogen carbonate

[(E)-3-(2,2,3,3-tetrafluoropropoxy)prop-1-enyl] hydrogen carbonate (PubChem CID 138726518) has the molecular formula C7H8F4O4 and a molecular weight of 232.13 g/mol. Its IUPAC name is [(E)-3-(2,2,3,3-tetrafluoropropoxy)prop-1-enyl] hydrogen carbonate.

Molecular Properties

Compound Name[(E)-3-(2,2,3,3-tetrafluoropropoxy)prop-1-enyl] hydrogen carbonate
PubChem CID138726518
Molecular FormulaC7H8F4O4
Molecular Weight232.13 g/mol
Exact Mass232.04
IUPAC Name[(E)-3-(2,2,3,3-tetrafluoropropoxy)prop-1-enyl] hydrogen carbonate
SMILESO=C(O)O/C=C/COCC(F)(F)C(F)F
InChIInChI=1S/C7H8F4O4/c8-5(9)7(10,11)4-14-2-1-3-15-6(12)13/h1,3,5H,2,4H2,(H,12,13)/b3-1+
InChIKeySIEGXCOVMFQQSS-HNQUOIGGSA-N
XLogP2.11
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.13
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1,1,2,2-tetrafluoro-3-hydroperoxypropane
CID 162542165
1-propan-2-yloxy-3-(2,2,3,3-tetrafluoropropoxy)propan-2-one
CID 103473882
4-oxo-4-(2,2,3,3-tetrafluoropropoxy)but-2-enoate
CID 71381327
2-ethoxy-3-(2,2,3,3-tetrafluoropropoxy)propanoic acid
CID 63073619
4-(2,2,3,3-tetrafluoropropoxymethyl)benzoic acid
CID 890262
2-[2-(2,2,3,3-tetrafluoropropoxy)ethoxy]ethanol
CID 97109325
(E)-4-(1,1,2,2-tetrafluoroethoxy)but-2-enoic acid
CID 162455178
1-(2,2,3,3-tetrafluoropropoxy)hexan-2-one
CID 103473659
1-cyclobutyl-2-(2,2,3,3-tetrafluoropropoxy)ethanone
CID 103473846
4-[2-(2,2,3,3-tetrafluoropropoxy)ethoxy]benzoic acid
CID 43532345
[1-hydroxy-3-(2,2,3,3-tetrafluoropropoxy)propyl] prop-2-enoate
CID 152734803
1-O-(2,2,3,4,4,4-hexafluorobutyl) 4-O-(2,2,3,3-tetrafluoropropyl) butanedioate
CID 91739714

Frequently Asked Questions

What is the IUPAC name of [(E)-3-(2,2,3,3-tetrafluoropropoxy)prop-1-enyl] hydrogen carbonate?
The IUPAC name of [(E)-3-(2,2,3,3-tetrafluoropropoxy)prop-1-enyl] hydrogen carbonate (CID 138726518) is [(E)-3-(2,2,3,3-tetrafluoropropoxy)prop-1-enyl] hydrogen carbonate.
What is the SMILES notation for [(E)-3-(2,2,3,3-tetrafluoropropoxy)prop-1-enyl] hydrogen carbonate?
The canonical SMILES for [(E)-3-(2,2,3,3-tetrafluoropropoxy)prop-1-enyl] hydrogen carbonate is O=C(O)O/C=C/COCC(F)(F)C(F)F.
What is the InChIKey of [(E)-3-(2,2,3,3-tetrafluoropropoxy)prop-1-enyl] hydrogen carbonate?
The InChIKey is SIEGXCOVMFQQSS-HNQUOIGGSA-N. The full InChI is InChI=1S/C7H8F4O4/c8-5(9)7(10,11)4-14-2-1-3-15-6(12)13/h1,3,5H,2,4H2,(H,12,13)/b3-1+.
What are the key properties of [(E)-3-(2,2,3,3-tetrafluoropropoxy)prop-1-enyl] hydrogen carbonate?
[(E)-3-(2,2,3,3-tetrafluoropropoxy)prop-1-enyl] hydrogen carbonate has a molecular weight of 232.13 g/mol, XLogP of 2.11, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-3-(2,2,3,3-tetrafluoropropoxy)prop-1-enyl] hydrogen carbonate is sourced from PubChem (CID 138726518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).