1,2,2-trichloro-1,1,3,3-tetrafluoropropane

C3HCl3F4 — CID 23237203

IUPAC1,2,2-trichloro-1,1,3,3-tetrafluoropropane
SMILESFC(F)C(Cl)(Cl)C(F)(F)Cl
InChIInChI=1S/C3HCl3F4/c4-2(5,1(7)8)3(6,9)10/h1H
InChIKeyJGEJRURDJBTGKF-UHFFFAOYSA-N
MW219.39 g/mol
LogP3.26
Rot. Bonds2

About 1,2,2-trichloro-1,1,3,3-tetrafluoropropane

1,2,2-trichloro-1,1,3,3-tetrafluoropropane (PubChem CID 23237203) has the molecular formula C3HCl3F4 and a molecular weight of 219.39 g/mol. Its IUPAC name is 1,2,2-trichloro-1,1,3,3-tetrafluoropropane.

Molecular Properties

Compound Name1,2,2-trichloro-1,1,3,3-tetrafluoropropane
PubChem CID23237203
Molecular FormulaC3HCl3F4
Molecular Weight219.39 g/mol
Exact Mass217.91
IUPAC Name1,2,2-trichloro-1,1,3,3-tetrafluoropropane
SMILESFC(F)C(Cl)(Cl)C(F)(F)Cl
InChIInChI=1S/C3HCl3F4/c4-2(5,1(7)8)3(6,9)10/h1H
InChIKeyJGEJRURDJBTGKF-UHFFFAOYSA-N
XLogP3.26
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.39
LogP ≤ 53.26
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 1,2,2-trichloro-1,1,3,3-tetrafluoropropane?
The IUPAC name of 1,2,2-trichloro-1,1,3,3-tetrafluoropropane (CID 23237203) is 1,2,2-trichloro-1,1,3,3-tetrafluoropropane.
What is the SMILES notation for 1,2,2-trichloro-1,1,3,3-tetrafluoropropane?
The canonical SMILES for 1,2,2-trichloro-1,1,3,3-tetrafluoropropane is FC(F)C(Cl)(Cl)C(F)(F)Cl.
What is the InChIKey of 1,2,2-trichloro-1,1,3,3-tetrafluoropropane?
The InChIKey is JGEJRURDJBTGKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C3HCl3F4/c4-2(5,1(7)8)3(6,9)10/h1H.
What are the key properties of 1,2,2-trichloro-1,1,3,3-tetrafluoropropane?
1,2,2-trichloro-1,1,3,3-tetrafluoropropane has a molecular weight of 219.39 g/mol, XLogP of 3.26, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,2-trichloro-1,1,3,3-tetrafluoropropane is sourced from PubChem (CID 23237203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).