1,1,2,2,3,3,4,4-octafluoro-5-(2,2,2-trifluoroethoxy)pentane

C7H5F11O — CID 22436578

IUPAC1,1,2,2,3,3,4,4-octafluoro-5-(2,2,2-trifluoroethoxy)pentane
SMILESFC(F)C(F)(F)C(F)(F)C(F)(F)COCC(F)(F)F
InChIInChI=1S/C7H5F11O/c8-3(9)6(15,16)7(17,18)4(10,11)1-19-2-5(12,13)14/h3H,1-2H2
InChIKeyLMTFXPFEMHTYMN-UHFFFAOYSA-N
MW314.09 g/mol
LogP3.74
Rot. Bonds6

About 1,1,2,2,3,3,4,4-octafluoro-5-(2,2,2-trifluoroethoxy)pentane

1,1,2,2,3,3,4,4-octafluoro-5-(2,2,2-trifluoroethoxy)pentane (PubChem CID 22436578) has the molecular formula C7H5F11O and a molecular weight of 314.09 g/mol. Its IUPAC name is 1,1,2,2,3,3,4,4-octafluoro-5-(2,2,2-trifluoroethoxy)pentane.

Molecular Properties

Compound Name1,1,2,2,3,3,4,4-octafluoro-5-(2,2,2-trifluoroethoxy)pentane
PubChem CID22436578
Molecular FormulaC7H5F11O
Molecular Weight314.09 g/mol
Exact Mass314.02
IUPAC Name1,1,2,2,3,3,4,4-octafluoro-5-(2,2,2-trifluoroethoxy)pentane
SMILESFC(F)C(F)(F)C(F)(F)C(F)(F)COCC(F)(F)F
InChIInChI=1S/C7H5F11O/c8-3(9)6(15,16)7(17,18)4(10,11)1-19-2-5(12,13)14/h3H,1-2H2
InChIKeyLMTFXPFEMHTYMN-UHFFFAOYSA-N
XLogP3.74
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.09
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

Analyze 1,1,2,2,3,3,4,4-octafluoro-5-(2,2,2-trifluoroethoxy)pentane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,1,2,2,3,3,4,4-octafluoro-5-(2,2,2-trifluoroethoxy)pentane?
The IUPAC name of 1,1,2,2,3,3,4,4-octafluoro-5-(2,2,2-trifluoroethoxy)pentane (CID 22436578) is 1,1,2,2,3,3,4,4-octafluoro-5-(2,2,2-trifluoroethoxy)pentane.
What is the SMILES notation for 1,1,2,2,3,3,4,4-octafluoro-5-(2,2,2-trifluoroethoxy)pentane?
The canonical SMILES for 1,1,2,2,3,3,4,4-octafluoro-5-(2,2,2-trifluoroethoxy)pentane is FC(F)C(F)(F)C(F)(F)C(F)(F)COCC(F)(F)F.
What is the InChIKey of 1,1,2,2,3,3,4,4-octafluoro-5-(2,2,2-trifluoroethoxy)pentane?
The InChIKey is LMTFXPFEMHTYMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5F11O/c8-3(9)6(15,16)7(17,18)4(10,11)1-19-2-5(12,13)14/h3H,1-2H2.
What are the key properties of 1,1,2,2,3,3,4,4-octafluoro-5-(2,2,2-trifluoroethoxy)pentane?
1,1,2,2,3,3,4,4-octafluoro-5-(2,2,2-trifluoroethoxy)pentane has a molecular weight of 314.09 g/mol, XLogP of 3.74, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,2,3,3,4,4-octafluoro-5-(2,2,2-trifluoroethoxy)pentane is sourced from PubChem (CID 22436578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).