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

C3Cl5F3 — CID 12574735

IUPAC1,1,2,2,3-pentachloro-1,3,3-trifluoropropane
SMILESFC(F)(Cl)C(Cl)(Cl)C(F)(Cl)Cl
InChIInChI=1S/C3Cl5F3/c4-1(5,2(6,7)9)3(8,10)11
InChIKeyDAPTZLFKGIYRDZ-UHFFFAOYSA-N
MW270.29 g/mol
LogP4.09
Rot. Bonds2

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

1,1,2,2,3-pentachloro-1,3,3-trifluoropropane (PubChem CID 12574735) has the molecular formula C3Cl5F3 and a molecular weight of 270.29 g/mol. Its IUPAC name is 1,1,2,2,3-pentachloro-1,3,3-trifluoropropane.

Molecular Properties

Compound Name1,1,2,2,3-pentachloro-1,3,3-trifluoropropane
PubChem CID12574735
Molecular FormulaC3Cl5F3
Molecular Weight270.29 g/mol
Exact Mass267.84
IUPAC Name1,1,2,2,3-pentachloro-1,3,3-trifluoropropane
SMILESFC(F)(Cl)C(Cl)(Cl)C(F)(Cl)Cl
InChIInChI=1S/C3Cl5F3/c4-1(5,2(6,7)9)3(8,10)11
InChIKeyDAPTZLFKGIYRDZ-UHFFFAOYSA-N
XLogP4.09
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
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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Related Compounds

1,1,1,2-Tetrachloro-2,2-difluoroethane
CID 6426
2,2,3,3-Tetrachlorohexafluorobutane
CID 67811
1,1,1,3-Tetrachloro-2,2,3,3-tetrafluoropropane
CID 61288
1,1,3,3,3-Pentafluoro-1,2,2-trichloropropane
CID 15335
1,1,1,2,3,3,3-Heptachloro-2-fluoropropane
CID 67915
1,2,2,3-Tetrachloro-1,1,3,3-tetrafluoropropane
CID 69615
1,1,1,3,3,3-Hexachloro-2,2-difluoropropane
CID 76650
1,1,1,3,3-Pentachloro-2,2,3-trifluoropropane
CID 150189
1,1,3,3-Tetrachlorotetrafluoropropane
CID 13594930
1,1,2,3-Tetrachlorotetrafluoropropane
CID 13717704
1,1,1,2,2-Pentachloro-3,3,3-trifluoropropane
CID 519279
1,1,1,2,2,3-Hexachloro-3,3-difluoropropane
CID 522198

Frequently Asked Questions

What is the IUPAC name of 1,1,2,2,3-pentachloro-1,3,3-trifluoropropane?
The IUPAC name of 1,1,2,2,3-pentachloro-1,3,3-trifluoropropane (CID 12574735) is 1,1,2,2,3-pentachloro-1,3,3-trifluoropropane.
What is the SMILES notation for 1,1,2,2,3-pentachloro-1,3,3-trifluoropropane?
The canonical SMILES for 1,1,2,2,3-pentachloro-1,3,3-trifluoropropane is FC(F)(Cl)C(Cl)(Cl)C(F)(Cl)Cl.
What is the InChIKey of 1,1,2,2,3-pentachloro-1,3,3-trifluoropropane?
The InChIKey is DAPTZLFKGIYRDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C3Cl5F3/c4-1(5,2(6,7)9)3(8,10)11.
What are the key properties of 1,1,2,2,3-pentachloro-1,3,3-trifluoropropane?
1,1,2,2,3-pentachloro-1,3,3-trifluoropropane has a molecular weight of 270.29 g/mol, XLogP of 4.09, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,2,3-pentachloro-1,3,3-trifluoropropane is sourced from PubChem (CID 12574735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).