1,2,4-trichloro-1,1,3,4,4-pentafluorobut-2-ene

C4Cl3F5 — CID 54297906

IUPAC1,2,4-trichloro-1,1,3,4,4-pentafluorobut-2-ene
SMILESFC(=C(Cl)C(F)(F)Cl)C(F)(F)Cl
InChIInChI=1S/C4Cl3F5/c5-1(3(6,9)10)2(8)4(7,11)12
InChIKeySCBJPTOGFNBXCH-UHFFFAOYSA-N
MW249.39 g/mol
LogP4.07
Rot. Bonds2

About 1,2,4-trichloro-1,1,3,4,4-pentafluorobut-2-ene

1,2,4-trichloro-1,1,3,4,4-pentafluorobut-2-ene (PubChem CID 54297906) has the molecular formula C4Cl3F5 and a molecular weight of 249.39 g/mol. Its IUPAC name is 1,2,4-trichloro-1,1,3,4,4-pentafluorobut-2-ene.

Molecular Properties

Compound Name1,2,4-trichloro-1,1,3,4,4-pentafluorobut-2-ene
PubChem CID54297906
Molecular FormulaC4Cl3F5
Molecular Weight249.39 g/mol
Exact Mass247.90
IUPAC Name1,2,4-trichloro-1,1,3,4,4-pentafluorobut-2-ene
SMILESFC(=C(Cl)C(F)(F)Cl)C(F)(F)Cl
InChIInChI=1S/C4Cl3F5/c5-1(3(6,9)10)2(8)4(7,11)12
InChIKeySCBJPTOGFNBXCH-UHFFFAOYSA-N
XLogP4.07
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.39
LogP ≤ 54.07
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

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2-chloro-1,1,1,3-tetrafluorobut-2-ene
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1,3-dichloro-1,1,3,3-tetrafluoropropan-2-imine
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1,1-dichloro-2,3,3,4,4-pentafluorobut-1-ene
CID 155169645
S-hydroxy 2-chloro-2,2-difluoroethanethioate
CID 142666375
2-chloro-1,2-difluoro-N,N-bis(trifluoromethyl)ethenamine
CID 86175552
CID 87918969
CID 87918969
2-(1-chloro-2,2,2-trifluoroethylidene)propanedinitrile
CID 12591685
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CID 139906496

Frequently Asked Questions

What is the IUPAC name of 1,2,4-trichloro-1,1,3,4,4-pentafluorobut-2-ene?
The IUPAC name of 1,2,4-trichloro-1,1,3,4,4-pentafluorobut-2-ene (CID 54297906) is 1,2,4-trichloro-1,1,3,4,4-pentafluorobut-2-ene.
What is the SMILES notation for 1,2,4-trichloro-1,1,3,4,4-pentafluorobut-2-ene?
The canonical SMILES for 1,2,4-trichloro-1,1,3,4,4-pentafluorobut-2-ene is FC(=C(Cl)C(F)(F)Cl)C(F)(F)Cl.
What is the InChIKey of 1,2,4-trichloro-1,1,3,4,4-pentafluorobut-2-ene?
The InChIKey is SCBJPTOGFNBXCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C4Cl3F5/c5-1(3(6,9)10)2(8)4(7,11)12.
What are the key properties of 1,2,4-trichloro-1,1,3,4,4-pentafluorobut-2-ene?
1,2,4-trichloro-1,1,3,4,4-pentafluorobut-2-ene has a molecular weight of 249.39 g/mol, XLogP of 4.07, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,4-trichloro-1,1,3,4,4-pentafluorobut-2-ene is sourced from PubChem (CID 54297906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).