1,1,1,2,2-pentachloro-3,3,3-trifluoropropane

C3Cl5F3 — CID 519279

IUPAC1,1,1,2,2-pentachloro-3,3,3-trifluoropropane
SMILESFC(F)(F)C(Cl)(Cl)C(Cl)(Cl)Cl
InChIInChI=1S/C3Cl5F3/c4-1(5,2(6,7)8)3(9,10)11
InChIKeyGKXWTRSVUPXQMM-UHFFFAOYSA-N
MW270.29 g/mol
LogP4.09
Rot. Bonds

About 1,1,1,2,2-pentachloro-3,3,3-trifluoropropane

1,1,1,2,2-pentachloro-3,3,3-trifluoropropane (PubChem CID 519279) has the molecular formula C3Cl5F3 and a molecular weight of 270.29 g/mol. Its IUPAC name is 1,1,1,2,2-pentachloro-3,3,3-trifluoropropane.

Molecular Properties

Compound Name1,1,1,2,2-pentachloro-3,3,3-trifluoropropane
PubChem CID519279
Molecular FormulaC3Cl5F3
Molecular Weight270.29 g/mol
Exact Mass267.84
IUPAC Name1,1,1,2,2-pentachloro-3,3,3-trifluoropropane
SMILESFC(F)(F)C(Cl)(Cl)C(Cl)(Cl)Cl
InChIInChI=1S/C3Cl5F3/c4-1(5,2(6,7)8)3(9,10)11
InChIKeyGKXWTRSVUPXQMM-UHFFFAOYSA-N
XLogP4.09
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 54.09
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 1,1,1,2,2-pentachloro-3,3,3-trifluoropropane?
The IUPAC name of 1,1,1,2,2-pentachloro-3,3,3-trifluoropropane (CID 519279) is 1,1,1,2,2-pentachloro-3,3,3-trifluoropropane.
What is the SMILES notation for 1,1,1,2,2-pentachloro-3,3,3-trifluoropropane?
The canonical SMILES for 1,1,1,2,2-pentachloro-3,3,3-trifluoropropane is FC(F)(F)C(Cl)(Cl)C(Cl)(Cl)Cl.
What is the InChIKey of 1,1,1,2,2-pentachloro-3,3,3-trifluoropropane?
The InChIKey is GKXWTRSVUPXQMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C3Cl5F3/c4-1(5,2(6,7)8)3(9,10)11.
What are the key properties of 1,1,1,2,2-pentachloro-3,3,3-trifluoropropane?
1,1,1,2,2-pentachloro-3,3,3-trifluoropropane has a molecular weight of 270.29 g/mol, XLogP of 4.09, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,2,2-pentachloro-3,3,3-trifluoropropane is sourced from PubChem (CID 519279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).