1,1,1,2,2,3-hexafluoropropane

C3H2F6 — CID 522282

IUPAC1,1,1,2,2,3-hexafluoropropane
SMILESFCC(F)(F)C(F)(F)F
InChIInChI=1S/C3H2F6/c4-1-2(5,6)3(7,8)9/h1H2
InChIKeySUAMPXQALWYDBK-UHFFFAOYSA-N
MW152.04 g/mol
LogP2.15
Rot. Bonds1

About 1,1,1,2,2,3-hexafluoropropane

1,1,1,2,2,3-hexafluoropropane (PubChem CID 522282) has the molecular formula C3H2F6 and a molecular weight of 152.04 g/mol. Its IUPAC name is 1,1,1,2,2,3-hexafluoropropane.

Molecular Properties

Compound Name1,1,1,2,2,3-hexafluoropropane
PubChem CID522282
Molecular FormulaC3H2F6
Molecular Weight152.04 g/mol
Exact Mass152.01
IUPAC Name1,1,1,2,2,3-hexafluoropropane
SMILESFCC(F)(F)C(F)(F)F
InChIInChI=1S/C3H2F6/c4-1-2(5,6)3(7,8)9/h1H2
InChIKeySUAMPXQALWYDBK-UHFFFAOYSA-N
XLogP2.15
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.04
LogP ≤ 52.15
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 1,1,1,2,2,3-hexafluoropropane?
The IUPAC name of 1,1,1,2,2,3-hexafluoropropane (CID 522282) is 1,1,1,2,2,3-hexafluoropropane.
What is the SMILES notation for 1,1,1,2,2,3-hexafluoropropane?
The canonical SMILES for 1,1,1,2,2,3-hexafluoropropane is FCC(F)(F)C(F)(F)F.
What is the InChIKey of 1,1,1,2,2,3-hexafluoropropane?
The InChIKey is SUAMPXQALWYDBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H2F6/c4-1-2(5,6)3(7,8)9/h1H2.
What are the key properties of 1,1,1,2,2,3-hexafluoropropane?
1,1,1,2,2,3-hexafluoropropane has a molecular weight of 152.04 g/mol, XLogP of 2.15, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,2,2,3-hexafluoropropane is sourced from PubChem (CID 522282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).