1,1,1,2,2,3,3-heptafluoro-4-(3,3,4,4,5,5,5-heptafluoropentan-2-yloxy)pentane

C10H8F14O — CID 22646023

IUPAC1,1,1,2,2,3,3-heptafluoro-4-(3,3,4,4,5,5,5-heptafluoropentan-2-yloxy)pentane
SMILESCC(OC(C)C(F)(F)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C10H8F14O/c1-3(5(11,12)7(15,16)9(19,20)21)25-4(2)6(13,14)8(17,18)10(22,23)24/h3-4H,1-2H3
InChIKeySFPLIYFLVJBGIG-UHFFFAOYSA-N
MW410.15 g/mol
LogP5.45
Rot. Bonds6

About 1,1,1,2,2,3,3-heptafluoro-4-(3,3,4,4,5,5,5-heptafluoropentan-2-yloxy)pentane

1,1,1,2,2,3,3-heptafluoro-4-(3,3,4,4,5,5,5-heptafluoropentan-2-yloxy)pentane (PubChem CID 22646023) has the molecular formula C10H8F14O and a molecular weight of 410.15 g/mol. Its IUPAC name is 1,1,1,2,2,3,3-heptafluoro-4-(3,3,4,4,5,5,5-heptafluoropentan-2-yloxy)pentane.

Molecular Properties

Compound Name1,1,1,2,2,3,3-heptafluoro-4-(3,3,4,4,5,5,5-heptafluoropentan-2-yloxy)pentane
PubChem CID22646023
Molecular FormulaC10H8F14O
Molecular Weight410.15 g/mol
Exact Mass410.04
IUPAC Name1,1,1,2,2,3,3-heptafluoro-4-(3,3,4,4,5,5,5-heptafluoropentan-2-yloxy)pentane
SMILESCC(OC(C)C(F)(F)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C10H8F14O/c1-3(5(11,12)7(15,16)9(19,20)21)25-4(2)6(13,14)8(17,18)10(22,23)24/h3-4H,1-2H3
InChIKeySFPLIYFLVJBGIG-UHFFFAOYSA-N
XLogP5.45
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.15
LogP ≤ 55.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1,1,1,2,2,3,3-heptafluoro-4-(3,3,4,4,5,5,5-heptafluoropentan-2-yloxy)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 1,1,1,2,2,3,3-heptafluoro-4-(3,3,4,4,5,5,5-heptafluoropentan-2-yloxy)pentane?
The IUPAC name of 1,1,1,2,2,3,3-heptafluoro-4-(3,3,4,4,5,5,5-heptafluoropentan-2-yloxy)pentane (CID 22646023) is 1,1,1,2,2,3,3-heptafluoro-4-(3,3,4,4,5,5,5-heptafluoropentan-2-yloxy)pentane.
What is the SMILES notation for 1,1,1,2,2,3,3-heptafluoro-4-(3,3,4,4,5,5,5-heptafluoropentan-2-yloxy)pentane?
The canonical SMILES for 1,1,1,2,2,3,3-heptafluoro-4-(3,3,4,4,5,5,5-heptafluoropentan-2-yloxy)pentane is CC(OC(C)C(F)(F)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 1,1,1,2,2,3,3-heptafluoro-4-(3,3,4,4,5,5,5-heptafluoropentan-2-yloxy)pentane?
The InChIKey is SFPLIYFLVJBGIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F14O/c1-3(5(11,12)7(15,16)9(19,20)21)25-4(2)6(13,14)8(17,18)10(22,23)24/h3-4H,1-2H3.
What are the key properties of 1,1,1,2,2,3,3-heptafluoro-4-(3,3,4,4,5,5,5-heptafluoropentan-2-yloxy)pentane?
1,1,1,2,2,3,3-heptafluoro-4-(3,3,4,4,5,5,5-heptafluoropentan-2-yloxy)pentane has a molecular weight of 410.15 g/mol, XLogP of 5.45, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,2,2,3,3-heptafluoro-4-(3,3,4,4,5,5,5-heptafluoropentan-2-yloxy)pentane is sourced from PubChem (CID 22646023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).