2,2,3,3,4,5,5-heptafluoro-4-(trifluoromethoxy)hexane

C7H6F10O — CID 88949959

IUPAC2,2,3,3,4,5,5-heptafluoro-4-(trifluoromethoxy)hexane
SMILESCC(F)(F)C(F)(F)C(F)(OC(F)(F)F)C(C)(F)F
InChIInChI=1S/C7H6F10O/c1-3(8,9)5(12,13)6(14,4(2,10)11)18-7(15,16)17/h1-2H3
InChIKeyNKQXBTIIGIDXFL-UHFFFAOYSA-N
MW296.10 g/mol
LogP4.13
Rot. Bonds4

About 2,2,3,3,4,5,5-heptafluoro-4-(trifluoromethoxy)hexane

2,2,3,3,4,5,5-heptafluoro-4-(trifluoromethoxy)hexane (PubChem CID 88949959) has the molecular formula C7H6F10O and a molecular weight of 296.10 g/mol. Its IUPAC name is 2,2,3,3,4,5,5-heptafluoro-4-(trifluoromethoxy)hexane.

Molecular Properties

Compound Name2,2,3,3,4,5,5-heptafluoro-4-(trifluoromethoxy)hexane
PubChem CID88949959
Molecular FormulaC7H6F10O
Molecular Weight296.10 g/mol
Exact Mass296.03
IUPAC Name2,2,3,3,4,5,5-heptafluoro-4-(trifluoromethoxy)hexane
SMILESCC(F)(F)C(F)(F)C(F)(OC(F)(F)F)C(C)(F)F
InChIInChI=1S/C7H6F10O/c1-3(8,9)5(12,13)6(14,4(2,10)11)18-7(15,16)17/h1-2H3
InChIKeyNKQXBTIIGIDXFL-UHFFFAOYSA-N
XLogP4.13
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.10
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2,2,3,3,4,5,5-heptafluoro-4-(trifluoromethoxy)hexane with MolForge

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

Launch Full Analysis

Related Compounds

1,1,1,2-Tetrafluoro-2-(trifluoromethoxy)butane
CID 71358567
1,1,1,2,2,3,3,4-Octafluoro-4-(3,4,4,5,5,6,6,6-octafluorohexan-3-yloxy)hexane
CID 18934302
1,1,2-Trifluoro-1-(trifluoromethoxy)butane
CID 20145785
1,1,1,2,2,3,3,4-Octafluoro-4-(2,3,3,4,4,5,5,5-octafluoropentan-2-yloxy)pentane
CID 22395523
1,1,2,2-Tetrafluoro-1-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)butane
CID 23345376
1,1,1,2,2,3,3,4,5,5-Decafluoro-4-(trifluoromethoxy)pentane
CID 54114423
1,2,3,3-Tetrafluoro-2-(trifluoromethoxy)butane
CID 57831813
2,2,3-Trifluoro-3-(trifluoromethoxy)butane
CID 58219978
2,2,3,3,4,4,5-Heptafluoro-5-(trifluoromethoxy)hexane
CID 58510497
1,1,1,4,5,5-Hexafluoro-4-(fluoromethoxy)hexane
CID 59203903
1,1,2-Trifluoro-2-(trifluoromethoxy)propane
CID 88077570
1,1,1,2-Tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)pentane
CID 88080609

Frequently Asked Questions

What is the IUPAC name of 2,2,3,3,4,5,5-heptafluoro-4-(trifluoromethoxy)hexane?
The IUPAC name of 2,2,3,3,4,5,5-heptafluoro-4-(trifluoromethoxy)hexane (CID 88949959) is 2,2,3,3,4,5,5-heptafluoro-4-(trifluoromethoxy)hexane.
What is the SMILES notation for 2,2,3,3,4,5,5-heptafluoro-4-(trifluoromethoxy)hexane?
The canonical SMILES for 2,2,3,3,4,5,5-heptafluoro-4-(trifluoromethoxy)hexane is CC(F)(F)C(F)(F)C(F)(OC(F)(F)F)C(C)(F)F.
What is the InChIKey of 2,2,3,3,4,5,5-heptafluoro-4-(trifluoromethoxy)hexane?
The InChIKey is NKQXBTIIGIDXFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F10O/c1-3(8,9)5(12,13)6(14,4(2,10)11)18-7(15,16)17/h1-2H3.
What are the key properties of 2,2,3,3,4,5,5-heptafluoro-4-(trifluoromethoxy)hexane?
2,2,3,3,4,5,5-heptafluoro-4-(trifluoromethoxy)hexane has a molecular weight of 296.10 g/mol, XLogP of 4.13, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3,4,5,5-heptafluoro-4-(trifluoromethoxy)hexane is sourced from PubChem (CID 88949959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).