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

C6H3F11O — CID 19063496

IUPAC1,1,1,2,3,3,4,4-octafluoro-5-(trifluoromethoxy)pentane
SMILESFC(C(F)(F)F)C(F)(F)C(F)(F)COC(F)(F)F
InChIInChI=1S/C6H3F11O/c7-2(5(12,13)14)4(10,11)3(8,9)1-18-6(15,16)17/h2H,1H2
InChIKeyCFWSBJSQOZKEHJ-UHFFFAOYSA-N
MW300.07 g/mol
LogP3.69
Rot. Bonds4

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

1,1,1,2,3,3,4,4-octafluoro-5-(trifluoromethoxy)pentane (PubChem CID 19063496) has the molecular formula C6H3F11O and a molecular weight of 300.07 g/mol. Its IUPAC name is 1,1,1,2,3,3,4,4-octafluoro-5-(trifluoromethoxy)pentane.

Molecular Properties

Compound Name1,1,1,2,3,3,4,4-octafluoro-5-(trifluoromethoxy)pentane
PubChem CID19063496
Molecular FormulaC6H3F11O
Molecular Weight300.07 g/mol
Exact Mass300.00
IUPAC Name1,1,1,2,3,3,4,4-octafluoro-5-(trifluoromethoxy)pentane
SMILESFC(C(F)(F)F)C(F)(F)C(F)(F)COC(F)(F)F
InChIInChI=1S/C6H3F11O/c7-2(5(12,13)14)4(10,11)3(8,9)1-18-6(15,16)17/h2H,1H2
InChIKeyCFWSBJSQOZKEHJ-UHFFFAOYSA-N
XLogP3.69
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.07
LogP ≤ 53.69
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
4-(Difluoromethoxy)-1,1,1,2,2,3,3-heptafluorobutane
CID 19063484
5-(Difluoromethoxy)-1,1,1,2,2,3,3,4,4-nonafluoropentane
CID 22436579
1,1,1,2,2,3,3,4,4,5,5-Undecafluoro-5-methoxypentane
CID 23432497
1-Ethoxy-1,1,2,2,3,3,4,4,5,5,5-undecafluoropentane
CID 23432499
1,1,1,2,2,3,3-Heptafluoro-4-(1,1,2,3,3,3-hexafluoropropoxy)butane
CID 75360833
Difluoromethyl 2,2,3,3,3-pentafluoropropyl ether
CID 92551
2,2,3,3,4,4,5,5-Octafluoropentyl difluoromethylether
CID 10333943
1-(Difluoromethoxy)-1,2,2,3,3-pentafluoropropane
CID 37027
Pentane, 1,1'-oxybis[2,2,3,3,4,4,5,5-octafluoro-
CID 12100158
4-(1,2,2,2-Tetrafluoroethoxy)perfluorobutane
CID 15789091
Tetrafluoroethyl-2,2,3,3-tetrafluoropropyl ether
CID 137423381

Frequently Asked Questions

What is the IUPAC name of 1,1,1,2,3,3,4,4-octafluoro-5-(trifluoromethoxy)pentane?
The IUPAC name of 1,1,1,2,3,3,4,4-octafluoro-5-(trifluoromethoxy)pentane (CID 19063496) is 1,1,1,2,3,3,4,4-octafluoro-5-(trifluoromethoxy)pentane.
What is the SMILES notation for 1,1,1,2,3,3,4,4-octafluoro-5-(trifluoromethoxy)pentane?
The canonical SMILES for 1,1,1,2,3,3,4,4-octafluoro-5-(trifluoromethoxy)pentane is FC(C(F)(F)F)C(F)(F)C(F)(F)COC(F)(F)F.
What is the InChIKey of 1,1,1,2,3,3,4,4-octafluoro-5-(trifluoromethoxy)pentane?
The InChIKey is CFWSBJSQOZKEHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3F11O/c7-2(5(12,13)14)4(10,11)3(8,9)1-18-6(15,16)17/h2H,1H2.
What are the key properties of 1,1,1,2,3,3,4,4-octafluoro-5-(trifluoromethoxy)pentane?
1,1,1,2,3,3,4,4-octafluoro-5-(trifluoromethoxy)pentane has a molecular weight of 300.07 g/mol, XLogP of 3.69, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,2,3,3,4,4-octafluoro-5-(trifluoromethoxy)pentane is sourced from PubChem (CID 19063496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).