1,1,1,2,2-pentafluoropropane

C3H3F5 — CID 15747

IUPAC1,1,1,2,2-pentafluoropropane
SMILESCC(F)(F)C(F)(F)F
InChIInChI=1S/C3H3F5/c1-2(4,5)3(6,7)8/h1H3
InChIKeyFDOPVENYMZRARC-UHFFFAOYSA-N
MW134.05 g/mol
LogP2.20
Rot. Bonds

About 1,1,1,2,2-pentafluoropropane

1,1,1,2,2-pentafluoropropane (PubChem CID 15747) has the molecular formula C3H3F5 and a molecular weight of 134.05 g/mol. Its IUPAC name is 1,1,1,2,2-pentafluoropropane.

Molecular Properties

Compound Name1,1,1,2,2-pentafluoropropane
PubChem CID15747
Molecular FormulaC3H3F5
Molecular Weight134.05 g/mol
Exact Mass134.02
IUPAC Name1,1,1,2,2-pentafluoropropane
SMILESCC(F)(F)C(F)(F)F
InChIInChI=1S/C3H3F5/c1-2(4,5)3(6,7)8/h1H3
InChIKeyFDOPVENYMZRARC-UHFFFAOYSA-N
XLogP2.20
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.05
LogP ≤ 52.20
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?
The IUPAC name of 1,1,1,2,2-pentafluoropropane (CID 15747) is 1,1,1,2,2-pentafluoropropane.
What is the SMILES notation for 1,1,1,2,2-pentafluoropropane?
The canonical SMILES for 1,1,1,2,2-pentafluoropropane is CC(F)(F)C(F)(F)F.
What is the InChIKey of 1,1,1,2,2-pentafluoropropane?
The InChIKey is FDOPVENYMZRARC-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H3F5/c1-2(4,5)3(6,7)8/h1H3.
What are the key properties of 1,1,1,2,2-pentafluoropropane?
1,1,1,2,2-pentafluoropropane has a molecular weight of 134.05 g/mol, XLogP of 2.20, 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 is sourced from PubChem (CID 15747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).