2,2,3-trichloro-1,1,1-trifluoropropane

C3H2Cl3F3 — CID 2776868

IUPAC2,2,3-trichloro-1,1,1-trifluoropropane
SMILESFC(F)(F)C(Cl)(Cl)CCl
InChIInChI=1S/C3H2Cl3F3/c4-1-2(5,6)3(7,8)9/h1H2
InChIKeyOMMADTGFNSRNEJ-UHFFFAOYSA-N
MW201.40 g/mol
LogP2.96
Rot. Bonds1

About 2,2,3-trichloro-1,1,1-trifluoropropane

2,2,3-trichloro-1,1,1-trifluoropropane (PubChem CID 2776868) has the molecular formula C3H2Cl3F3 and a molecular weight of 201.40 g/mol. Its IUPAC name is 2,2,3-trichloro-1,1,1-trifluoropropane.

Molecular Properties

Compound Name2,2,3-trichloro-1,1,1-trifluoropropane
PubChem CID2776868
Molecular FormulaC3H2Cl3F3
Molecular Weight201.40 g/mol
Exact Mass199.92
IUPAC Name2,2,3-trichloro-1,1,1-trifluoropropane
SMILESFC(F)(F)C(Cl)(Cl)CCl
InChIInChI=1S/C3H2Cl3F3/c4-1-2(5,6)3(7,8)9/h1H2
InChIKeyOMMADTGFNSRNEJ-UHFFFAOYSA-N
XLogP2.96
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.40
LogP ≤ 52.96
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 2,2,3-trichloro-1,1,1-trifluoropropane?
The IUPAC name of 2,2,3-trichloro-1,1,1-trifluoropropane (CID 2776868) is 2,2,3-trichloro-1,1,1-trifluoropropane.
What is the SMILES notation for 2,2,3-trichloro-1,1,1-trifluoropropane?
The canonical SMILES for 2,2,3-trichloro-1,1,1-trifluoropropane is FC(F)(F)C(Cl)(Cl)CCl.
What is the InChIKey of 2,2,3-trichloro-1,1,1-trifluoropropane?
The InChIKey is OMMADTGFNSRNEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H2Cl3F3/c4-1-2(5,6)3(7,8)9/h1H2.
What are the key properties of 2,2,3-trichloro-1,1,1-trifluoropropane?
2,2,3-trichloro-1,1,1-trifluoropropane has a molecular weight of 201.40 g/mol, XLogP of 2.96, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3-trichloro-1,1,1-trifluoropropane is sourced from PubChem (CID 2776868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).