carbonic acid;1,1,1,4,4,4-hexafluorobut-2-ene

C5H4F6O3 — CID 160871889

IUPACcarbonic acid;1,1,1,4,4,4-hexafluorobut-2-ene
SMILESFC(F)(F)C=CC(F)(F)F.O=C(O)O
InChIInChI=1S/C4H2F6.CH2O3/c5-3(6,7)1-2-4(8,9)10;2-1(3)4/h1-2H;(H2,2,3,4)
InChIKeySLWDKUKGSGLZNC-UHFFFAOYSA-N
MW226.07 g/mol
LogP2.89
Rot. Bonds

About carbonic acid;1,1,1,4,4,4-hexafluorobut-2-ene

carbonic acid;1,1,1,4,4,4-hexafluorobut-2-ene (PubChem CID 160871889) has the molecular formula C5H4F6O3 and a molecular weight of 226.07 g/mol. Its IUPAC name is carbonic acid;1,1,1,4,4,4-hexafluorobut-2-ene.

Molecular Properties

Compound Namecarbonic acid;1,1,1,4,4,4-hexafluorobut-2-ene
PubChem CID160871889
Molecular FormulaC5H4F6O3
Molecular Weight226.07 g/mol
Exact Mass226.01
IUPAC Namecarbonic acid;1,1,1,4,4,4-hexafluorobut-2-ene
SMILESFC(F)(F)C=CC(F)(F)F.O=C(O)O
InChIInChI=1S/C4H2F6.CH2O3/c5-3(6,7)1-2-4(8,9)10;2-1(3)4/h1-2H;(H2,2,3,4)
InChIKeySLWDKUKGSGLZNC-UHFFFAOYSA-N
XLogP2.89
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.07
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-[(E)-4,4,4-trifluorobut-2-enyl]propanedioic acid
CID 172893227
(E)-5,5,5-trifluoropent-3-en-2-one
CID 162111874
5,5,5-trifluoro-2-oxopent-3-enal
CID 175007710
4,4,4-trifluorobut-2-enoyl 4,4,4-trifluorobut-2-enoate
CID 87154543
carbonic acid;trifluoromethoxyethene
CID 175150293
bis[(E)-3,3,3-trifluoroprop-1-enyl] carbonate
CID 87138013
4,4,4-trifluorobut-2-enyl hydrogen carbonate
CID 90256502
(E)-1,1,1,4,4,4-hexafluorobut-2-ene;propane
CID 90329560
trans-(1R,3S)-2,2-dimethyl-3-[(E)-3,3,3-trifluoroprop-1-enyl]cyclopropane-1-carboxylic acid
CID 66824291
6,6,6-trifluorohexa-2,4-dienamide
CID 54073864
(E)-1,1,1,4,4,5,5,5-octafluoropent-2-ene
CID 18520951
1,1,1,6,6,6-hexafluorohexa-2,4-diene
CID 71367258

Frequently Asked Questions

What is the IUPAC name of carbonic acid;1,1,1,4,4,4-hexafluorobut-2-ene?
The IUPAC name of carbonic acid;1,1,1,4,4,4-hexafluorobut-2-ene (CID 160871889) is carbonic acid;1,1,1,4,4,4-hexafluorobut-2-ene.
What is the SMILES notation for carbonic acid;1,1,1,4,4,4-hexafluorobut-2-ene?
The canonical SMILES for carbonic acid;1,1,1,4,4,4-hexafluorobut-2-ene is FC(F)(F)C=CC(F)(F)F.O=C(O)O.
What is the InChIKey of carbonic acid;1,1,1,4,4,4-hexafluorobut-2-ene?
The InChIKey is SLWDKUKGSGLZNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H2F6.CH2O3/c5-3(6,7)1-2-4(8,9)10;2-1(3)4/h1-2H;(H2,2,3,4).
What are the key properties of carbonic acid;1,1,1,4,4,4-hexafluorobut-2-ene?
carbonic acid;1,1,1,4,4,4-hexafluorobut-2-ene has a molecular weight of 226.07 g/mol, XLogP of 2.89, 0 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for carbonic acid;1,1,1,4,4,4-hexafluorobut-2-ene is sourced from PubChem (CID 160871889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).