1-chloro-1,2,2-trifluoroethane;1,1,1,2,2,3-hexafluoropropane

C5H4ClF9 — CID 88674301

IUPAC1-chloro-1,2,2-trifluoroethane;1,1,1,2,2,3-hexafluoropropane
SMILESFC(F)C(F)Cl.FCC(F)(F)C(F)(F)F
InChIInChI=1S/C3H2F6.C2H2ClF3/c4-1-2(5,6)3(7,8)9;3-1(4)2(5)6/h1H2;1-2H
InChIKeyPXDGCHCGTVKQLW-UHFFFAOYSA-N
MW270.52 g/mol
LogP3.94
Rot. Bonds2

About 1-chloro-1,2,2-trifluoroethane;1,1,1,2,2,3-hexafluoropropane

1-chloro-1,2,2-trifluoroethane;1,1,1,2,2,3-hexafluoropropane (PubChem CID 88674301) has the molecular formula C5H4ClF9 and a molecular weight of 270.52 g/mol. Its IUPAC name is 1-chloro-1,2,2-trifluoroethane;1,1,1,2,2,3-hexafluoropropane.

Molecular Properties

Compound Name1-chloro-1,2,2-trifluoroethane;1,1,1,2,2,3-hexafluoropropane
PubChem CID88674301
Molecular FormulaC5H4ClF9
Molecular Weight270.52 g/mol
Exact Mass269.99
IUPAC Name1-chloro-1,2,2-trifluoroethane;1,1,1,2,2,3-hexafluoropropane
SMILESFC(F)C(F)Cl.FCC(F)(F)C(F)(F)F
InChIInChI=1S/C3H2F6.C2H2ClF3/c4-1-2(5,6)3(7,8)9;3-1(4)2(5)6/h1H2;1-2H
InChIKeyPXDGCHCGTVKQLW-UHFFFAOYSA-N
XLogP3.94
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.52
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-1,2,2-trifluoroethane;1,1,1,2,2,3-hexafluoropropane?
The IUPAC name of 1-chloro-1,2,2-trifluoroethane;1,1,1,2,2,3-hexafluoropropane (CID 88674301) is 1-chloro-1,2,2-trifluoroethane;1,1,1,2,2,3-hexafluoropropane.
What is the SMILES notation for 1-chloro-1,2,2-trifluoroethane;1,1,1,2,2,3-hexafluoropropane?
The canonical SMILES for 1-chloro-1,2,2-trifluoroethane;1,1,1,2,2,3-hexafluoropropane is FC(F)C(F)Cl.FCC(F)(F)C(F)(F)F.
What is the InChIKey of 1-chloro-1,2,2-trifluoroethane;1,1,1,2,2,3-hexafluoropropane?
The InChIKey is PXDGCHCGTVKQLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H2F6.C2H2ClF3/c4-1-2(5,6)3(7,8)9;3-1(4)2(5)6/h1H2;1-2H.
What are the key properties of 1-chloro-1,2,2-trifluoroethane;1,1,1,2,2,3-hexafluoropropane?
1-chloro-1,2,2-trifluoroethane;1,1,1,2,2,3-hexafluoropropane has a molecular weight of 270.52 g/mol, XLogP of 3.94, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-1,2,2-trifluoroethane;1,1,1,2,2,3-hexafluoropropane is sourced from PubChem (CID 88674301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).