1,1,1,2,2-pentafluorobutane

C4H5F5 — CID 19980372

IUPAC1,1,1,2,2-pentafluorobutane
SMILESCCC(F)(F)C(F)(F)F
InChIInChI=1S/C4H5F5/c1-2-3(5,6)4(7,8)9/h2H2,1H3
InChIKeyNVSXSBBVEDNGPY-UHFFFAOYSA-N
MW148.07 g/mol
LogP2.59
Rot. Bonds1

About 1,1,1,2,2-pentafluorobutane

1,1,1,2,2-pentafluorobutane (PubChem CID 19980372) has the molecular formula C4H5F5 and a molecular weight of 148.07 g/mol. Its IUPAC name is 1,1,1,2,2-pentafluorobutane.

Molecular Properties

Compound Name1,1,1,2,2-pentafluorobutane
PubChem CID19980372
Molecular FormulaC4H5F5
Molecular Weight148.07 g/mol
Exact Mass148.03
IUPAC Name1,1,1,2,2-pentafluorobutane
SMILESCCC(F)(F)C(F)(F)F
InChIInChI=1S/C4H5F5/c1-2-3(5,6)4(7,8)9/h2H2,1H3
InChIKeyNVSXSBBVEDNGPY-UHFFFAOYSA-N
XLogP2.59
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.07
LogP ≤ 52.59
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-pentafluorobutane?
The IUPAC name of 1,1,1,2,2-pentafluorobutane (CID 19980372) is 1,1,1,2,2-pentafluorobutane.
What is the SMILES notation for 1,1,1,2,2-pentafluorobutane?
The canonical SMILES for 1,1,1,2,2-pentafluorobutane is CCC(F)(F)C(F)(F)F.
What is the InChIKey of 1,1,1,2,2-pentafluorobutane?
The InChIKey is NVSXSBBVEDNGPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5F5/c1-2-3(5,6)4(7,8)9/h2H2,1H3.
What are the key properties of 1,1,1,2,2-pentafluorobutane?
1,1,1,2,2-pentafluorobutane has a molecular weight of 148.07 g/mol, XLogP of 2.59, 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-pentafluorobutane is sourced from PubChem (CID 19980372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).