1,2-dichloro-1,1,2-trifluoropropane;2,2-dichloro-1,1,3-trifluoropropane

C6H6Cl4F6 — CID 19786091

IUPAC1,2-dichloro-1,1,2-trifluoropropane;2,2-dichloro-1,1,3-trifluoropropane
SMILESCC(F)(Cl)C(F)(F)Cl.FCC(Cl)(Cl)C(F)F
InChIInChI=1S/2C3H3Cl2F3/c4-3(5,1-6)2(7)8;1-2(4,6)3(5,7)8/h2H,1H2;1H3
InChIKeyUEGPEUWOWCIEIV-UHFFFAOYSA-N
MW333.91 g/mol
LogP5.14
Rot. Bonds3

About 1,2-dichloro-1,1,2-trifluoropropane;2,2-dichloro-1,1,3-trifluoropropane

1,2-dichloro-1,1,2-trifluoropropane;2,2-dichloro-1,1,3-trifluoropropane (PubChem CID 19786091) has the molecular formula C6H6Cl4F6 and a molecular weight of 333.91 g/mol. Its IUPAC name is 1,2-dichloro-1,1,2-trifluoropropane;2,2-dichloro-1,1,3-trifluoropropane.

Molecular Properties

Compound Name1,2-dichloro-1,1,2-trifluoropropane;2,2-dichloro-1,1,3-trifluoropropane
PubChem CID19786091
Molecular FormulaC6H6Cl4F6
Molecular Weight333.91 g/mol
Exact Mass331.91
IUPAC Name1,2-dichloro-1,1,2-trifluoropropane;2,2-dichloro-1,1,3-trifluoropropane
SMILESCC(F)(Cl)C(F)(F)Cl.FCC(Cl)(Cl)C(F)F
InChIInChI=1S/2C3H3Cl2F3/c4-3(5,1-6)2(7)8;1-2(4,6)3(5,7)8/h2H,1H2;1H3
InChIKeyUEGPEUWOWCIEIV-UHFFFAOYSA-N
XLogP5.14
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500333.91
LogP ≤ 55.14
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 1,2-dichloro-1,1,2-trifluoropropane;2,2-dichloro-1,1,3-trifluoropropane?
The IUPAC name of 1,2-dichloro-1,1,2-trifluoropropane;2,2-dichloro-1,1,3-trifluoropropane (CID 19786091) is 1,2-dichloro-1,1,2-trifluoropropane;2,2-dichloro-1,1,3-trifluoropropane.
What is the SMILES notation for 1,2-dichloro-1,1,2-trifluoropropane;2,2-dichloro-1,1,3-trifluoropropane?
The canonical SMILES for 1,2-dichloro-1,1,2-trifluoropropane;2,2-dichloro-1,1,3-trifluoropropane is CC(F)(Cl)C(F)(F)Cl.FCC(Cl)(Cl)C(F)F.
What is the InChIKey of 1,2-dichloro-1,1,2-trifluoropropane;2,2-dichloro-1,1,3-trifluoropropane?
The InChIKey is UEGPEUWOWCIEIV-UHFFFAOYSA-N. The full InChI is InChI=1S/2C3H3Cl2F3/c4-3(5,1-6)2(7)8;1-2(4,6)3(5,7)8/h2H,1H2;1H3.
What are the key properties of 1,2-dichloro-1,1,2-trifluoropropane;2,2-dichloro-1,1,3-trifluoropropane?
1,2-dichloro-1,1,2-trifluoropropane;2,2-dichloro-1,1,3-trifluoropropane has a molecular weight of 333.91 g/mol, XLogP of 5.14, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dichloro-1,1,2-trifluoropropane;2,2-dichloro-1,1,3-trifluoropropane is sourced from PubChem (CID 19786091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).