1,1,4,4-tetrachloro-1,4-difluorobutane

C4H4Cl4F2 — CID 19764101

IUPAC1,1,4,4-tetrachloro-1,4-difluorobutane
SMILESFC(Cl)(Cl)CCC(F)(Cl)Cl
InChIInChI=1S/C4H4Cl4F2/c5-3(6,9)1-2-4(7,8)10/h1-2H2
InChIKeyYZTGJCJKVZDHJJ-UHFFFAOYSA-N
MW231.88 g/mol
LogP3.97
Rot. Bonds3

About 1,1,4,4-tetrachloro-1,4-difluorobutane

1,1,4,4-tetrachloro-1,4-difluorobutane (PubChem CID 19764101) has the molecular formula C4H4Cl4F2 and a molecular weight of 231.88 g/mol. Its IUPAC name is 1,1,4,4-tetrachloro-1,4-difluorobutane.

Molecular Properties

Compound Name1,1,4,4-tetrachloro-1,4-difluorobutane
PubChem CID19764101
Molecular FormulaC4H4Cl4F2
Molecular Weight231.88 g/mol
Exact Mass229.90
IUPAC Name1,1,4,4-tetrachloro-1,4-difluorobutane
SMILESFC(Cl)(Cl)CCC(F)(Cl)Cl
InChIInChI=1S/C4H4Cl4F2/c5-3(6,9)1-2-4(7,8)10/h1-2H2
InChIKeyYZTGJCJKVZDHJJ-UHFFFAOYSA-N
XLogP3.97
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.88
LogP ≤ 53.97
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

1,1-dichloro-1,3-difluoropropane
CID 14226151
1,1,5-trichloro-1-fluoropentane
CID 559210
1,1,2-trichloro-1-fluoroethane;hydrofluoride
CID 87631220
1,1,1,2-tetrachloroethane;1,1,2-trichloro-1-fluoroethane
CID 88595352
1,2-dichloro-1,1,2,2-tetrafluoroethane
CID 6429
chloro(trifluoro)methane;hydrofluoride
CID 158114823
trichloro(fluoro)methane;hydrochloride
CID 88794151
butane;trichloro(fluoro)methane
CID 159264115
1-chloro-4,4,4-trifluorobutane-1,1-diol
CID 156773076
1,1,3-trichloro-1,3-difluoropropane
CID 23295392
CID 18617925
CID 18617925
1,1,1,2-tetrachloro-2,2-difluoroethane
CID 6426

Frequently Asked Questions

What is the IUPAC name of 1,1,4,4-tetrachloro-1,4-difluorobutane?
The IUPAC name of 1,1,4,4-tetrachloro-1,4-difluorobutane (CID 19764101) is 1,1,4,4-tetrachloro-1,4-difluorobutane.
What is the SMILES notation for 1,1,4,4-tetrachloro-1,4-difluorobutane?
The canonical SMILES for 1,1,4,4-tetrachloro-1,4-difluorobutane is FC(Cl)(Cl)CCC(F)(Cl)Cl.
What is the InChIKey of 1,1,4,4-tetrachloro-1,4-difluorobutane?
The InChIKey is YZTGJCJKVZDHJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4Cl4F2/c5-3(6,9)1-2-4(7,8)10/h1-2H2.
What are the key properties of 1,1,4,4-tetrachloro-1,4-difluorobutane?
1,1,4,4-tetrachloro-1,4-difluorobutane has a molecular weight of 231.88 g/mol, XLogP of 3.97, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,4,4-tetrachloro-1,4-difluorobutane is sourced from PubChem (CID 19764101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).