(2S,3S)-1,2,3,4-tetrachloro-1,1,2,3,4,4-hexafluorobutane

C4Cl4F6 — CID 98047490

IUPAC(2S,3S)-1,2,3,4-tetrachloro-1,1,2,3,4,4-hexafluorobutane
SMILESFC(F)(Cl)[C@@](F)(Cl)[C@](F)(Cl)C(F)(F)Cl
InChIInChI=1S/C4Cl4F6/c5-1(9,3(7,11)12)2(6,10)4(8,13)14/t1-,2-/m1/s1
InChIKeyIRHYACQPDDXBCB-JCYAYHJZSA-N
MW303.84 g/mol
LogP4.46
Rot. Bonds3

About (2S,3S)-1,2,3,4-tetrachloro-1,1,2,3,4,4-hexafluorobutane

(2S,3S)-1,2,3,4-tetrachloro-1,1,2,3,4,4-hexafluorobutane (PubChem CID 98047490) has the molecular formula C4Cl4F6 and a molecular weight of 303.84 g/mol. Its IUPAC name is (2S,3S)-1,2,3,4-tetrachloro-1,1,2,3,4,4-hexafluorobutane.

Molecular Properties

Compound Name(2S,3S)-1,2,3,4-tetrachloro-1,1,2,3,4,4-hexafluorobutane
PubChem CID98047490
Molecular FormulaC4Cl4F6
Molecular Weight303.84 g/mol
Exact Mass301.87
IUPAC Name(2S,3S)-1,2,3,4-tetrachloro-1,1,2,3,4,4-hexafluorobutane
SMILESFC(F)(Cl)[C@@](F)(Cl)[C@](F)(Cl)C(F)(F)Cl
InChIInChI=1S/C4Cl4F6/c5-1(9,3(7,11)12)2(6,10)4(8,13)14/t1-,2-/m1/s1
InChIKeyIRHYACQPDDXBCB-JCYAYHJZSA-N
XLogP4.46
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.84
LogP ≤ 54.46
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

1,2-dichloro-1,1,2,2-tetrafluoroethane
CID 6429
1,1,1,2-tetrachloro-2,2-difluoroethane
CID 6426
1-bromo-3,4-dichloro-1,1,2,2,3,4,4-heptafluorobutane
CID 139890181
1,6-dichloro-1,1,2,2,3,3,4,4,5,5,6,6-dodecafluorohexane
CID 2736851
1,2-dichloro-3-(2-chloro-1,1,2,2-tetrafluoroethoxy)-1,1,2,3,3-pentafluoropropane
CID 102345712
1,2,3-trichloro-1,1,2,3-tetrafluoro-3-(1,2,2-trichloro-1,2-difluoroethoxy)propane
CID 59509974
sodium 3,4-dichloro-2,2,3,4,4-pentafluorobutan-1-olate
CID 134894294
1-chloro-1,1,2,2,2-pentafluoroethane;ethane
CID 141108517
1,1-dichloro-1,2,2,2-tetrafluoroethane;1,2-dichloro-1,1,2,2-tetrafluoroethane
CID 76970302
chloro(trifluoro)methane;hydrofluoride
CID 158114823
trichloro(fluoro)methane;hydrochloride
CID 88794151
1,2-dichloro-1,1,2,3,3-pentafluoro-3-[1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethoxy]propane
CID 11463803

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-1,2,3,4-tetrachloro-1,1,2,3,4,4-hexafluorobutane?
The IUPAC name of (2S,3S)-1,2,3,4-tetrachloro-1,1,2,3,4,4-hexafluorobutane (CID 98047490) is (2S,3S)-1,2,3,4-tetrachloro-1,1,2,3,4,4-hexafluorobutane.
What is the SMILES notation for (2S,3S)-1,2,3,4-tetrachloro-1,1,2,3,4,4-hexafluorobutane?
The canonical SMILES for (2S,3S)-1,2,3,4-tetrachloro-1,1,2,3,4,4-hexafluorobutane is FC(F)(Cl)[C@@](F)(Cl)[C@](F)(Cl)C(F)(F)Cl.
What is the InChIKey of (2S,3S)-1,2,3,4-tetrachloro-1,1,2,3,4,4-hexafluorobutane?
The InChIKey is IRHYACQPDDXBCB-JCYAYHJZSA-N. The full InChI is InChI=1S/C4Cl4F6/c5-1(9,3(7,11)12)2(6,10)4(8,13)14/t1-,2-/m1/s1.
What are the key properties of (2S,3S)-1,2,3,4-tetrachloro-1,1,2,3,4,4-hexafluorobutane?
(2S,3S)-1,2,3,4-tetrachloro-1,1,2,3,4,4-hexafluorobutane has a molecular weight of 303.84 g/mol, XLogP of 4.46, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-1,2,3,4-tetrachloro-1,1,2,3,4,4-hexafluorobutane is sourced from PubChem (CID 98047490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).