(1Z)-1,2,3-trifluorobuta-1,3-diene

C4H3F3 — CID 23233665

IUPAC(1Z)-1,2,3-trifluorobuta-1,3-diene
SMILESC=C(F)/C(F)=C/F
InChIInChI=1S/C4H3F3/c1-3(6)4(7)2-5/h2H,1H2/b4-2-
InChIKeyROBMBNAZGOKZQH-RQOWECAXSA-N
MW108.06 g/mol
LogP2.25
Rot. Bonds1

About (1Z)-1,2,3-trifluorobuta-1,3-diene

(1Z)-1,2,3-trifluorobuta-1,3-diene (PubChem CID 23233665) has the molecular formula C4H3F3 and a molecular weight of 108.06 g/mol. Its IUPAC name is (1Z)-1,2,3-trifluorobuta-1,3-diene.

Molecular Properties

Compound Name(1Z)-1,2,3-trifluorobuta-1,3-diene
PubChem CID23233665
Molecular FormulaC4H3F3
Molecular Weight108.06 g/mol
Exact Mass108.02
IUPAC Name(1Z)-1,2,3-trifluorobuta-1,3-diene
SMILESC=C(F)/C(F)=C/F
InChIInChI=1S/C4H3F3/c1-3(6)4(7)2-5/h2H,1H2/b4-2-
InChIKeyROBMBNAZGOKZQH-RQOWECAXSA-N
XLogP2.25
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500108.06
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1,1,2,3-Tetrafluoro-1,3-butadiene
CID 23236060
3,4,5,5-Tetrafluoropenta-1,2,4-triene
CID 17840515
1,1-Difluorobuta-1,2,3-triene
CID 18757442
(3Z)-1,1,2,3,4-pentafluorobuta-1,3-diene
CID 18927925
6,7-Difluorohepta-1,2,3,4,5-pentaene
CID 20708571
1,1-Difluorohexa-1,2,3,4,5-pentaene
CID 21365032
2,3-Difluorobuta-1,3-diene
CID 21932375
1,1,2,3,4-Pentafluorobuta-1,3-diene
CID 23233668
3,4,4-Trifluorobuta-1,2-diene
CID 54281679
4,5,5-Trifluoropenta-1,2,4-triene
CID 57190905
1,2,3,4-Tetrafluorobuta-1,3-diene
CID 57357286
1,2,3-Trifluorobuta-1,3-diene
CID 74023417

Frequently Asked Questions

What is the IUPAC name of (1Z)-1,2,3-trifluorobuta-1,3-diene?
The IUPAC name of (1Z)-1,2,3-trifluorobuta-1,3-diene (CID 23233665) is (1Z)-1,2,3-trifluorobuta-1,3-diene.
What is the SMILES notation for (1Z)-1,2,3-trifluorobuta-1,3-diene?
The canonical SMILES for (1Z)-1,2,3-trifluorobuta-1,3-diene is C=C(F)/C(F)=C/F.
What is the InChIKey of (1Z)-1,2,3-trifluorobuta-1,3-diene?
The InChIKey is ROBMBNAZGOKZQH-RQOWECAXSA-N. The full InChI is InChI=1S/C4H3F3/c1-3(6)4(7)2-5/h2H,1H2/b4-2-.
What are the key properties of (1Z)-1,2,3-trifluorobuta-1,3-diene?
(1Z)-1,2,3-trifluorobuta-1,3-diene has a molecular weight of 108.06 g/mol, XLogP of 2.25, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z)-1,2,3-trifluorobuta-1,3-diene is sourced from PubChem (CID 23233665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).