hydron;1,1,2,3-tetrafluorobuta-1,3-diene

C4H3F4+ — CID 88607904

IUPAChydron;1,1,2,3-tetrafluorobuta-1,3-diene
SMILESC=C(F)C(F)=C(F)F.[H+]
InChIInChI=1S/C4H2F4/c1-2(5)3(6)4(7)8/h1H2/p+1
InChIKeyNJVUNVISYDSXKR-UHFFFAOYSA-O
MW127.06 g/mol
LogP2.66
Rot. Bonds1

About hydron;1,1,2,3-tetrafluorobuta-1,3-diene

hydron;1,1,2,3-tetrafluorobuta-1,3-diene (PubChem CID 88607904) has the molecular formula C4H3F4+ and a molecular weight of 127.06 g/mol. Its IUPAC name is hydron;1,1,2,3-tetrafluorobuta-1,3-diene.

Molecular Properties

Compound Namehydron;1,1,2,3-tetrafluorobuta-1,3-diene
PubChem CID88607904
Molecular FormulaC4H3F4+
Molecular Weight127.06 g/mol
Exact Mass127.02
IUPAC Namehydron;1,1,2,3-tetrafluorobuta-1,3-diene
SMILESC=C(F)C(F)=C(F)F.[H+]
InChIInChI=1S/C4H2F4/c1-2(5)3(6)4(7)8/h1H2/p+1
InChIKeyNJVUNVISYDSXKR-UHFFFAOYSA-O
XLogP2.66
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.06
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of hydron;1,1,2,3-tetrafluorobuta-1,3-diene?
The IUPAC name of hydron;1,1,2,3-tetrafluorobuta-1,3-diene (CID 88607904) is hydron;1,1,2,3-tetrafluorobuta-1,3-diene.
What is the SMILES notation for hydron;1,1,2,3-tetrafluorobuta-1,3-diene?
The canonical SMILES for hydron;1,1,2,3-tetrafluorobuta-1,3-diene is C=C(F)C(F)=C(F)F.[H+].
What is the InChIKey of hydron;1,1,2,3-tetrafluorobuta-1,3-diene?
The InChIKey is NJVUNVISYDSXKR-UHFFFAOYSA-O. The full InChI is InChI=1S/C4H2F4/c1-2(5)3(6)4(7)8/h1H2/p+1.
What are the key properties of hydron;1,1,2,3-tetrafluorobuta-1,3-diene?
hydron;1,1,2,3-tetrafluorobuta-1,3-diene has a molecular weight of 127.06 g/mol, XLogP of 2.66, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for hydron;1,1,2,3-tetrafluorobuta-1,3-diene is sourced from PubChem (CID 88607904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).