1,1,1,2,2-pentafluorobutane;1,1,1,2-tetrafluoroethane

C6H7F9 — CID 161114745

IUPAC1,1,1,2,2-pentafluorobutane;1,1,1,2-tetrafluoroethane
SMILESCCC(F)(F)C(F)(F)F.FCC(F)(F)F
InChIInChI=1S/C4H5F5.C2H2F4/c1-2-3(5,6)4(7,8)9;3-1-2(4,5)6/h2H2,1H3;1H2
InChIKeyUKDWRHXVZACXPJ-UHFFFAOYSA-N
MW250.10 g/mol
LogP4.11
Rot. Bonds1

About 1,1,1,2,2-pentafluorobutane;1,1,1,2-tetrafluoroethane

1,1,1,2,2-pentafluorobutane;1,1,1,2-tetrafluoroethane (PubChem CID 161114745) has the molecular formula C6H7F9 and a molecular weight of 250.10 g/mol. Its IUPAC name is 1,1,1,2,2-pentafluorobutane;1,1,1,2-tetrafluoroethane.

Molecular Properties

Compound Name1,1,1,2,2-pentafluorobutane;1,1,1,2-tetrafluoroethane
PubChem CID161114745
Molecular FormulaC6H7F9
Molecular Weight250.10 g/mol
Exact Mass250.04
IUPAC Name1,1,1,2,2-pentafluorobutane;1,1,1,2-tetrafluoroethane
SMILESCCC(F)(F)C(F)(F)F.FCC(F)(F)F
InChIInChI=1S/C4H5F5.C2H2F4/c1-2-3(5,6)4(7,8)9;3-1-2(4,5)6/h2H2,1H3;1H2
InChIKeyUKDWRHXVZACXPJ-UHFFFAOYSA-N
XLogP4.11
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.10
LogP ≤ 54.11
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;1,1,1,2-tetrafluoroethane?
The IUPAC name of 1,1,1,2,2-pentafluorobutane;1,1,1,2-tetrafluoroethane (CID 161114745) is 1,1,1,2,2-pentafluorobutane;1,1,1,2-tetrafluoroethane.
What is the SMILES notation for 1,1,1,2,2-pentafluorobutane;1,1,1,2-tetrafluoroethane?
The canonical SMILES for 1,1,1,2,2-pentafluorobutane;1,1,1,2-tetrafluoroethane is CCC(F)(F)C(F)(F)F.FCC(F)(F)F.
What is the InChIKey of 1,1,1,2,2-pentafluorobutane;1,1,1,2-tetrafluoroethane?
The InChIKey is UKDWRHXVZACXPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5F5.C2H2F4/c1-2-3(5,6)4(7,8)9;3-1-2(4,5)6/h2H2,1H3;1H2.
What are the key properties of 1,1,1,2,2-pentafluorobutane;1,1,1,2-tetrafluoroethane?
1,1,1,2,2-pentafluorobutane;1,1,1,2-tetrafluoroethane has a molecular weight of 250.10 g/mol, XLogP of 4.11, 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;1,1,1,2-tetrafluoroethane is sourced from PubChem (CID 161114745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).