2,4-dichloro-1,1,1,3-tetrafluorobutane

C4H4Cl2F4 — CID 54422561

IUPAC2,4-dichloro-1,1,1,3-tetrafluorobutane
SMILESFC(CCl)C(Cl)C(F)(F)F
InChIInChI=1S/C4H4Cl2F4/c5-1-2(7)3(6)4(8,9)10/h2-3H,1H2
InChIKeyNBMCJHHUNKGUSN-UHFFFAOYSA-N
MW198.97 g/mol
LogP2.73
Rot. Bonds2

About 2,4-dichloro-1,1,1,3-tetrafluorobutane

2,4-dichloro-1,1,1,3-tetrafluorobutane (PubChem CID 54422561) has the molecular formula C4H4Cl2F4 and a molecular weight of 198.97 g/mol. Its IUPAC name is 2,4-dichloro-1,1,1,3-tetrafluorobutane.

Molecular Properties

Compound Name2,4-dichloro-1,1,1,3-tetrafluorobutane
PubChem CID54422561
Molecular FormulaC4H4Cl2F4
Molecular Weight198.97 g/mol
Exact Mass197.96
IUPAC Name2,4-dichloro-1,1,1,3-tetrafluorobutane
SMILESFC(CCl)C(Cl)C(F)(F)F
InChIInChI=1S/C4H4Cl2F4/c5-1-2(7)3(6)4(8,9)10/h2-3H,1H2
InChIKeyNBMCJHHUNKGUSN-UHFFFAOYSA-N
XLogP2.73
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.97
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-1,1,1,3-tetrafluorobutane?
The IUPAC name of 2,4-dichloro-1,1,1,3-tetrafluorobutane (CID 54422561) is 2,4-dichloro-1,1,1,3-tetrafluorobutane.
What is the SMILES notation for 2,4-dichloro-1,1,1,3-tetrafluorobutane?
The canonical SMILES for 2,4-dichloro-1,1,1,3-tetrafluorobutane is FC(CCl)C(Cl)C(F)(F)F.
What is the InChIKey of 2,4-dichloro-1,1,1,3-tetrafluorobutane?
The InChIKey is NBMCJHHUNKGUSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4Cl2F4/c5-1-2(7)3(6)4(8,9)10/h2-3H,1H2.
What are the key properties of 2,4-dichloro-1,1,1,3-tetrafluorobutane?
2,4-dichloro-1,1,1,3-tetrafluorobutane has a molecular weight of 198.97 g/mol, XLogP of 2.73, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-1,1,1,3-tetrafluorobutane is sourced from PubChem (CID 54422561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).