carbonic acid;trifluoromethoxyethene

C4H5F3O4 — CID 175150293

IUPACcarbonic acid;trifluoromethoxyethene
SMILESC=COC(F)(F)F.O=C(O)O
InChIInChI=1S/C3H3F3O.CH2O3/c1-2-7-3(4,5)6;2-1(3)4/h2H,1H2;(H2,2,3,4)
InChIKeyUKKKNUVJVITMFM-UHFFFAOYSA-N
MW174.07 g/mol
LogP1.89
Rot. Bonds1

About carbonic acid;trifluoromethoxyethene

carbonic acid;trifluoromethoxyethene (PubChem CID 175150293) has the molecular formula C4H5F3O4 and a molecular weight of 174.07 g/mol. Its IUPAC name is carbonic acid;trifluoromethoxyethene.

Molecular Properties

Compound Namecarbonic acid;trifluoromethoxyethene
PubChem CID175150293
Molecular FormulaC4H5F3O4
Molecular Weight174.07 g/mol
Exact Mass174.01
IUPAC Namecarbonic acid;trifluoromethoxyethene
SMILESC=COC(F)(F)F.O=C(O)O
InChIInChI=1S/C3H3F3O.CH2O3/c1-2-7-3(4,5)6;2-1(3)4/h2H,1H2;(H2,2,3,4)
InChIKeyUKKKNUVJVITMFM-UHFFFAOYSA-N
XLogP1.89
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.07
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

benzaldehyde;trifluoromethoxyethene
CID 174453379
ethenyl hydrogen carbonate;methane
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carbonic acid;1,1,1,4,4,4-hexafluorobut-2-ene
CID 160871889
1-ethenoxy-1,1,2,2,3,3,3-heptafluoropropane;2-methylprop-2-enoic acid
CID 159920783
trifluoromethyl prop-2-enoate
CID 10197737
lithium;carbonic acid;trifluoro(methanidyloxy)methane
CID 161160982
carbonic acid;fluoroethene;methoxymethane
CID 175504399
ethane-1,2-diol;prop-2-enoic acid;trifluoro(trifluoromethoxy)methane
CID 175354998
4-[2-(trifluoromethoxy)ethenyl]benzoic acid
CID 174718122
2-ethenoxyethenyl hydrogen carbonate
CID 154397634
[fluoro-iodo-(trifluoromethoxy)methoxy]ethene
CID 172863959
carbamic acid;ethenyl hypofluorite
CID 174867044

Frequently Asked Questions

What is the IUPAC name of carbonic acid;trifluoromethoxyethene?
The IUPAC name of carbonic acid;trifluoromethoxyethene (CID 175150293) is carbonic acid;trifluoromethoxyethene.
What is the SMILES notation for carbonic acid;trifluoromethoxyethene?
The canonical SMILES for carbonic acid;trifluoromethoxyethene is C=COC(F)(F)F.O=C(O)O.
What is the InChIKey of carbonic acid;trifluoromethoxyethene?
The InChIKey is UKKKNUVJVITMFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H3F3O.CH2O3/c1-2-7-3(4,5)6;2-1(3)4/h2H,1H2;(H2,2,3,4).
What are the key properties of carbonic acid;trifluoromethoxyethene?
carbonic acid;trifluoromethoxyethene has a molecular weight of 174.07 g/mol, XLogP of 1.89, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for carbonic acid;trifluoromethoxyethene is sourced from PubChem (CID 175150293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).