1,3,4-trichloro-1,3,4,4-tetrafluorobut-1-ene

C4HCl3F4 — CID 56977425

IUPAC1,3,4-trichloro-1,3,4,4-tetrafluorobut-1-ene
SMILESFC(Cl)=CC(F)(Cl)C(F)(F)Cl
InChIInChI=1S/C4HCl3F4/c5-2(8)1-3(6,9)4(7,10)11/h1H
InChIKeyHRAWOVURQWPXMX-UHFFFAOYSA-N
MW231.40 g/mol
LogP3.77
Rot. Bonds2

About 1,3,4-trichloro-1,3,4,4-tetrafluorobut-1-ene

1,3,4-trichloro-1,3,4,4-tetrafluorobut-1-ene (PubChem CID 56977425) has the molecular formula C4HCl3F4 and a molecular weight of 231.40 g/mol. Its IUPAC name is 1,3,4-trichloro-1,3,4,4-tetrafluorobut-1-ene.

Molecular Properties

Compound Name1,3,4-trichloro-1,3,4,4-tetrafluorobut-1-ene
PubChem CID56977425
Molecular FormulaC4HCl3F4
Molecular Weight231.40 g/mol
Exact Mass229.91
IUPAC Name1,3,4-trichloro-1,3,4,4-tetrafluorobut-1-ene
SMILESFC(Cl)=CC(F)(Cl)C(F)(F)Cl
InChIInChI=1S/C4HCl3F4/c5-2(8)1-3(6,9)4(7,10)11/h1H
InChIKeyHRAWOVURQWPXMX-UHFFFAOYSA-N
XLogP3.77
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.40
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

2-Chloro-3,3,4,4,4-pentafluorobut-1-ene
CID 87213415
3-Chloro-1,1,3,4,4,5,5,5-octafluoropent-1-ene
CID 134873275
5-Chloro-4,4,5,5-tetrafluoropenta-1,2-diene
CID 14816568
2,3,4-Trichloro-3,4,4-trifluorobut-1-ene
CID 2776860
3,4-Dichloro-3,4,4-trifluorobut-1-ene
CID 2782511
5,6-Dichloro-3,3,4,4,5,6,6-Heptafluoro-1-Hexene
CID 14512773
(Z)-1,3,4-trichloro-1,3,4,4-tetrafluorobut-1-ene
CID 18915998
1,2-Dichloro-1,3,3,4,4-pentafluorobut-1-ene
CID 53976827
1,2-Dichloro-1,3,3,4-tetrafluorobut-1-ene
CID 54067312
5-Chloro-3,4,4,6,6-pentafluorohexa-1,2,5-triene
CID 87106570
3,4-Dichloro-2,3,4,4-tetrafluorobut-1-ene
CID 87213476
4-Chloro-3,3,4,4-tetrafluorobut-1-ene
CID 87213496

Frequently Asked Questions

What is the IUPAC name of 1,3,4-trichloro-1,3,4,4-tetrafluorobut-1-ene?
The IUPAC name of 1,3,4-trichloro-1,3,4,4-tetrafluorobut-1-ene (CID 56977425) is 1,3,4-trichloro-1,3,4,4-tetrafluorobut-1-ene.
What is the SMILES notation for 1,3,4-trichloro-1,3,4,4-tetrafluorobut-1-ene?
The canonical SMILES for 1,3,4-trichloro-1,3,4,4-tetrafluorobut-1-ene is FC(Cl)=CC(F)(Cl)C(F)(F)Cl.
What is the InChIKey of 1,3,4-trichloro-1,3,4,4-tetrafluorobut-1-ene?
The InChIKey is HRAWOVURQWPXMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C4HCl3F4/c5-2(8)1-3(6,9)4(7,10)11/h1H.
What are the key properties of 1,3,4-trichloro-1,3,4,4-tetrafluorobut-1-ene?
1,3,4-trichloro-1,3,4,4-tetrafluorobut-1-ene has a molecular weight of 231.40 g/mol, XLogP of 3.77, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,4-trichloro-1,3,4,4-tetrafluorobut-1-ene is sourced from PubChem (CID 56977425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).