1,1,1,2,2,3,3-heptafluoro-4-(2,2,3,3,4,4,4-heptafluorobutoxy)butane

C8H4F14O — CID 22646028

IUPAC1,1,1,2,2,3,3-heptafluoro-4-(2,2,3,3,4,4,4-heptafluorobutoxy)butane
SMILESFC(F)(F)C(F)(F)C(F)(F)COCC(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C8H4F14O/c9-3(10,5(13,14)7(17,18)19)1-23-2-4(11,12)6(15,16)8(20,21)22/h1-2H2
InChIKeyYLOUSLWKRLJSPV-UHFFFAOYSA-N
MW382.09 g/mol
LogP4.67
Rot. Bonds6

About 1,1,1,2,2,3,3-heptafluoro-4-(2,2,3,3,4,4,4-heptafluorobutoxy)butane

1,1,1,2,2,3,3-heptafluoro-4-(2,2,3,3,4,4,4-heptafluorobutoxy)butane (PubChem CID 22646028) has the molecular formula C8H4F14O and a molecular weight of 382.09 g/mol. Its IUPAC name is 1,1,1,2,2,3,3-heptafluoro-4-(2,2,3,3,4,4,4-heptafluorobutoxy)butane.

Molecular Properties

Compound Name1,1,1,2,2,3,3-heptafluoro-4-(2,2,3,3,4,4,4-heptafluorobutoxy)butane
PubChem CID22646028
Molecular FormulaC8H4F14O
Molecular Weight382.09 g/mol
Exact Mass382.00
IUPAC Name1,1,1,2,2,3,3-heptafluoro-4-(2,2,3,3,4,4,4-heptafluorobutoxy)butane
SMILESFC(F)(F)C(F)(F)C(F)(F)COCC(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C8H4F14O/c9-3(10,5(13,14)7(17,18)19)1-23-2-4(11,12)6(15,16)8(20,21)22/h1-2H2
InChIKeyYLOUSLWKRLJSPV-UHFFFAOYSA-N
XLogP4.67
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.09
LogP ≤ 54.67
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

Flurothyl
CID 9528
Heptafluoropropyl 1,2,2,2-tetrafluoroethyl ether
CID 94258
3-(Difluoromethoxy)-1,1,2,2-tetrafluoropropane
CID 2737027
1,1,2,2-Tetrafluoro-3-(1,1,2,2-tetrafluoroethoxy)propane
CID 2776662
Ethoxynonafluorobutane
CID 206000
1,1,2,2,3,3,4,4-Octafluoro-5-(1,1,2,2-tetrafluoroethoxy)pentane
CID 2782579
n-Butyl 1,1,2,2-tetrafluoroethyl ether
CID 9659
Methyl 2H,2H-perfluorobutyl ether
CID 17914188
4-(Difluoromethoxy)-1,1,1,2,2,3,3-heptafluorobutane
CID 19063484
1,1,1,2,2,3,3,4,4-Nonafluoro-4-propoxybutane
CID 22670037
1,1,1,2,2,3,3-Heptafluoro-4-(1,1,2,3,3,3-hexafluoropropoxy)butane
CID 75360833
4-(1,1-Difluoroethoxy)-1,1,1,2,2,3,3-heptafluorobutane
CID 75360834

Frequently Asked Questions

What is the IUPAC name of 1,1,1,2,2,3,3-heptafluoro-4-(2,2,3,3,4,4,4-heptafluorobutoxy)butane?
The IUPAC name of 1,1,1,2,2,3,3-heptafluoro-4-(2,2,3,3,4,4,4-heptafluorobutoxy)butane (CID 22646028) is 1,1,1,2,2,3,3-heptafluoro-4-(2,2,3,3,4,4,4-heptafluorobutoxy)butane.
What is the SMILES notation for 1,1,1,2,2,3,3-heptafluoro-4-(2,2,3,3,4,4,4-heptafluorobutoxy)butane?
The canonical SMILES for 1,1,1,2,2,3,3-heptafluoro-4-(2,2,3,3,4,4,4-heptafluorobutoxy)butane is FC(F)(F)C(F)(F)C(F)(F)COCC(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 1,1,1,2,2,3,3-heptafluoro-4-(2,2,3,3,4,4,4-heptafluorobutoxy)butane?
The InChIKey is YLOUSLWKRLJSPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4F14O/c9-3(10,5(13,14)7(17,18)19)1-23-2-4(11,12)6(15,16)8(20,21)22/h1-2H2.
What are the key properties of 1,1,1,2,2,3,3-heptafluoro-4-(2,2,3,3,4,4,4-heptafluorobutoxy)butane?
1,1,1,2,2,3,3-heptafluoro-4-(2,2,3,3,4,4,4-heptafluorobutoxy)butane has a molecular weight of 382.09 g/mol, XLogP of 4.67, 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-(2,2,3,3,4,4,4-heptafluorobutoxy)butane is sourced from PubChem (CID 22646028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).