1,1,1,2,2-pentafluoropentane

C5H7F5 — CID 18678981

IUPAC1,1,1,2,2-pentafluoropentane
SMILESCCCC(F)(F)C(F)(F)F
InChIInChI=1S/C5H7F5/c1-2-3-4(6,7)5(8,9)10/h2-3H2,1H3
InChIKeyKBOAVUSWPXRQBC-UHFFFAOYSA-N
MW162.10 g/mol
LogP2.98
Rot. Bonds2

About 1,1,1,2,2-pentafluoropentane

1,1,1,2,2-pentafluoropentane (PubChem CID 18678981) has the molecular formula C5H7F5 and a molecular weight of 162.10 g/mol. Its IUPAC name is 1,1,1,2,2-pentafluoropentane.

Molecular Properties

Compound Name1,1,1,2,2-pentafluoropentane
PubChem CID18678981
Molecular FormulaC5H7F5
Molecular Weight162.10 g/mol
Exact Mass162.05
IUPAC Name1,1,1,2,2-pentafluoropentane
SMILESCCCC(F)(F)C(F)(F)F
InChIInChI=1S/C5H7F5/c1-2-3-4(6,7)5(8,9)10/h2-3H2,1H3
InChIKeyKBOAVUSWPXRQBC-UHFFFAOYSA-N
XLogP2.98
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.10
LogP ≤ 52.98
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-pentafluoropentane?
The IUPAC name of 1,1,1,2,2-pentafluoropentane (CID 18678981) is 1,1,1,2,2-pentafluoropentane.
What is the SMILES notation for 1,1,1,2,2-pentafluoropentane?
The canonical SMILES for 1,1,1,2,2-pentafluoropentane is CCCC(F)(F)C(F)(F)F.
What is the InChIKey of 1,1,1,2,2-pentafluoropentane?
The InChIKey is KBOAVUSWPXRQBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7F5/c1-2-3-4(6,7)5(8,9)10/h2-3H2,1H3.
What are the key properties of 1,1,1,2,2-pentafluoropentane?
1,1,1,2,2-pentafluoropentane has a molecular weight of 162.10 g/mol, XLogP of 2.98, 2 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-pentafluoropentane is sourced from PubChem (CID 18678981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).