1,1,1,2,2-pentafluoropropane;1,1,3,3,3-pentafluoroprop-1-ene

C6H4F10 — CID 158444486

IUPAC1,1,1,2,2-pentafluoropropane;1,1,3,3,3-pentafluoroprop-1-ene
SMILESCC(F)(F)C(F)(F)F.FC(F)=CC(F)(F)F
InChIInChI=1S/C3H3F5.C3HF5/c1-2(4,5)3(6,7)8;4-2(5)1-3(6,7)8/h1H3;1H
InChIKeyHDFIFIUXXLDXPA-UHFFFAOYSA-N
MW266.08 g/mol
LogP4.53
Rot. Bonds

About 1,1,1,2,2-pentafluoropropane;1,1,3,3,3-pentafluoroprop-1-ene

1,1,1,2,2-pentafluoropropane;1,1,3,3,3-pentafluoroprop-1-ene (PubChem CID 158444486) has the molecular formula C6H4F10 and a molecular weight of 266.08 g/mol. Its IUPAC name is 1,1,1,2,2-pentafluoropropane;1,1,3,3,3-pentafluoroprop-1-ene.

Molecular Properties

Compound Name1,1,1,2,2-pentafluoropropane;1,1,3,3,3-pentafluoroprop-1-ene
PubChem CID158444486
Molecular FormulaC6H4F10
Molecular Weight266.08 g/mol
Exact Mass266.02
IUPAC Name1,1,1,2,2-pentafluoropropane;1,1,3,3,3-pentafluoroprop-1-ene
SMILESCC(F)(F)C(F)(F)F.FC(F)=CC(F)(F)F
InChIInChI=1S/C3H3F5.C3HF5/c1-2(4,5)3(6,7)8;4-2(5)1-3(6,7)8/h1H3;1H
InChIKeyHDFIFIUXXLDXPA-UHFFFAOYSA-N
XLogP4.53
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.08
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,1,1,2,2-pentafluoropropane;1,1,3,3,3-pentafluoroprop-1-ene?
The IUPAC name of 1,1,1,2,2-pentafluoropropane;1,1,3,3,3-pentafluoroprop-1-ene (CID 158444486) is 1,1,1,2,2-pentafluoropropane;1,1,3,3,3-pentafluoroprop-1-ene.
What is the SMILES notation for 1,1,1,2,2-pentafluoropropane;1,1,3,3,3-pentafluoroprop-1-ene?
The canonical SMILES for 1,1,1,2,2-pentafluoropropane;1,1,3,3,3-pentafluoroprop-1-ene is CC(F)(F)C(F)(F)F.FC(F)=CC(F)(F)F.
What is the InChIKey of 1,1,1,2,2-pentafluoropropane;1,1,3,3,3-pentafluoroprop-1-ene?
The InChIKey is HDFIFIUXXLDXPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H3F5.C3HF5/c1-2(4,5)3(6,7)8;4-2(5)1-3(6,7)8/h1H3;1H.
What are the key properties of 1,1,1,2,2-pentafluoropropane;1,1,3,3,3-pentafluoroprop-1-ene?
1,1,1,2,2-pentafluoropropane;1,1,3,3,3-pentafluoroprop-1-ene has a molecular weight of 266.08 g/mol, XLogP of 4.53, 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-pentafluoropropane;1,1,3,3,3-pentafluoroprop-1-ene is sourced from PubChem (CID 158444486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).