1,1,2,2,3,3,4,4-octafluoro-5-[3,3,3-trifluoro-2-(trifluoromethyl)propoxy]pentane

C9H6F14O — CID 91694313

IUPAC1,1,2,2,3,3,4,4-octafluoro-5-[3,3,3-trifluoro-2-(trifluoromethyl)propoxy]pentane
SMILESFC(F)C(F)(F)C(F)(F)C(F)(F)COCC(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C9H6F14O/c10-4(11)6(14,15)9(22,23)5(12,13)2-24-1-3(7(16,17)18)8(19,20)21/h3-4H,1-2H2
InChIKeyXVAHFTSOPWMGPH-UHFFFAOYSA-N
MW396.12 g/mol
LogP4.91
Rot. Bonds7

About 1,1,2,2,3,3,4,4-octafluoro-5-[3,3,3-trifluoro-2-(trifluoromethyl)propoxy]pentane

1,1,2,2,3,3,4,4-octafluoro-5-[3,3,3-trifluoro-2-(trifluoromethyl)propoxy]pentane (PubChem CID 91694313) has the molecular formula C9H6F14O and a molecular weight of 396.12 g/mol. Its IUPAC name is 1,1,2,2,3,3,4,4-octafluoro-5-[3,3,3-trifluoro-2-(trifluoromethyl)propoxy]pentane.

Molecular Properties

Compound Name1,1,2,2,3,3,4,4-octafluoro-5-[3,3,3-trifluoro-2-(trifluoromethyl)propoxy]pentane
PubChem CID91694313
Molecular FormulaC9H6F14O
Molecular Weight396.12 g/mol
Exact Mass396.02
IUPAC Name1,1,2,2,3,3,4,4-octafluoro-5-[3,3,3-trifluoro-2-(trifluoromethyl)propoxy]pentane
SMILESFC(F)C(F)(F)C(F)(F)C(F)(F)COCC(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C9H6F14O/c10-4(11)6(14,15)9(22,23)5(12,13)2-24-1-3(7(16,17)18)8(19,20)21/h3-4H,1-2H2
InChIKeyXVAHFTSOPWMGPH-UHFFFAOYSA-N
XLogP4.91
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.12
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1,1,2,2,3,3,4,4-Octafluoro-5-(1,1,2,2-tetrafluoroethoxy)pentane
CID 2782579
Decafluoro-di-n-pentylether
CID 11688646
Pentane, 1,1'-oxybis[2,2,3,3,4,4,5,5-octafluoro-
CID 12100158
Bis[2,2-bis(trifluoromethyl)ethyl] ether
CID 57264302
Tetrafluoroethyl-2,2,3,3-tetrafluoropropyl ether
CID 137423381
1,1,2,2,3,3,4,4-Octafluoro-5-(1,1,2,3,3,3-hexafluoropropoxy)pentane
CID 14004511
1-(2,2,3,3-Tetrafluoropropyloxy)pentane
CID 11229430
Tetrafluoropropyl octafluoro-pentyl ether
CID 129761689
1,1,1,2,3,4,5,5,5-Nonafluoro-2-(([2,3,4,5,5,5-hexafluoro-2,4-bis(trifluoromethyl)pentyl]oxy)methyl)-4-(trifluoromethyl)pentane
CID 91743406
2,2,3,3,4,4,5,5-Octafluoropentyl-1',1',2',3',3',3'-hexafluoropropyl ether
CID 144096
1,1,1,2,2-Pentafluoro-5-(4,4,5,5,5-pentafluoropentoxy)pentane
CID 11859046
1,1,2,2,3,3,4,4-Octafluoro-5-propoxypentane
CID 12100156

Frequently Asked Questions

What is the IUPAC name of 1,1,2,2,3,3,4,4-octafluoro-5-[3,3,3-trifluoro-2-(trifluoromethyl)propoxy]pentane?
The IUPAC name of 1,1,2,2,3,3,4,4-octafluoro-5-[3,3,3-trifluoro-2-(trifluoromethyl)propoxy]pentane (CID 91694313) is 1,1,2,2,3,3,4,4-octafluoro-5-[3,3,3-trifluoro-2-(trifluoromethyl)propoxy]pentane.
What is the SMILES notation for 1,1,2,2,3,3,4,4-octafluoro-5-[3,3,3-trifluoro-2-(trifluoromethyl)propoxy]pentane?
The canonical SMILES for 1,1,2,2,3,3,4,4-octafluoro-5-[3,3,3-trifluoro-2-(trifluoromethyl)propoxy]pentane is FC(F)C(F)(F)C(F)(F)C(F)(F)COCC(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1,1,2,2,3,3,4,4-octafluoro-5-[3,3,3-trifluoro-2-(trifluoromethyl)propoxy]pentane?
The InChIKey is XVAHFTSOPWMGPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6F14O/c10-4(11)6(14,15)9(22,23)5(12,13)2-24-1-3(7(16,17)18)8(19,20)21/h3-4H,1-2H2.
What are the key properties of 1,1,2,2,3,3,4,4-octafluoro-5-[3,3,3-trifluoro-2-(trifluoromethyl)propoxy]pentane?
1,1,2,2,3,3,4,4-octafluoro-5-[3,3,3-trifluoro-2-(trifluoromethyl)propoxy]pentane has a molecular weight of 396.12 g/mol, XLogP of 4.91, 7 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-[3,3,3-trifluoro-2-(trifluoromethyl)propoxy]pentane is sourced from PubChem (CID 91694313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).