1,1,3,3-tetrachloro-1,2,2-trifluoropropane

C3HCl4F3 — CID 3036567

IUPAC1,1,3,3-tetrachloro-1,2,2-trifluoropropane
SMILESFC(Cl)(Cl)C(F)(F)C(Cl)Cl
InChIInChI=1S/C3HCl4F3/c4-1(5)2(8,9)3(6,7)10/h1H
InChIKeyVSPRXIMPHWEJMN-UHFFFAOYSA-N
MW235.85 g/mol
LogP3.53
Rot. Bonds2

About 1,1,3,3-tetrachloro-1,2,2-trifluoropropane

1,1,3,3-tetrachloro-1,2,2-trifluoropropane (PubChem CID 3036567) has the molecular formula C3HCl4F3 and a molecular weight of 235.85 g/mol. Its IUPAC name is 1,1,3,3-tetrachloro-1,2,2-trifluoropropane.

Molecular Properties

Compound Name1,1,3,3-tetrachloro-1,2,2-trifluoropropane
PubChem CID3036567
Molecular FormulaC3HCl4F3
Molecular Weight235.85 g/mol
Exact Mass233.88
IUPAC Name1,1,3,3-tetrachloro-1,2,2-trifluoropropane
SMILESFC(Cl)(Cl)C(F)(F)C(Cl)Cl
InChIInChI=1S/C3HCl4F3/c4-1(5)2(8,9)3(6,7)10/h1H
InChIKeyVSPRXIMPHWEJMN-UHFFFAOYSA-N
XLogP3.53
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.85
LogP ≤ 53.53
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 1,1,3,3-tetrachloro-1,2,2-trifluoropropane?
The IUPAC name of 1,1,3,3-tetrachloro-1,2,2-trifluoropropane (CID 3036567) is 1,1,3,3-tetrachloro-1,2,2-trifluoropropane.
What is the SMILES notation for 1,1,3,3-tetrachloro-1,2,2-trifluoropropane?
The canonical SMILES for 1,1,3,3-tetrachloro-1,2,2-trifluoropropane is FC(Cl)(Cl)C(F)(F)C(Cl)Cl.
What is the InChIKey of 1,1,3,3-tetrachloro-1,2,2-trifluoropropane?
The InChIKey is VSPRXIMPHWEJMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C3HCl4F3/c4-1(5)2(8,9)3(6,7)10/h1H.
What are the key properties of 1,1,3,3-tetrachloro-1,2,2-trifluoropropane?
1,1,3,3-tetrachloro-1,2,2-trifluoropropane has a molecular weight of 235.85 g/mol, XLogP of 3.53, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,3,3-tetrachloro-1,2,2-trifluoropropane is sourced from PubChem (CID 3036567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).