1,1,1,2,2,3,3-heptafluoro-4-(1,1,1,2,2,3,3-heptafluoroheptan-4-yloxy)heptane

C14H16F14O — CID 18952775

IUPAC1,1,1,2,2,3,3-heptafluoro-4-(1,1,1,2,2,3,3-heptafluoroheptan-4-yloxy)heptane
SMILESCCCC(OC(CCC)C(F)(F)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C14H16F14O/c1-3-5-7(9(15,16)11(19,20)13(23,24)25)29-8(6-4-2)10(17,18)12(21,22)14(26,27)28/h7-8H,3-6H2,1-2H3
InChIKeyOZHHXWAMKFAUKH-UHFFFAOYSA-N
MW466.25 g/mol
LogP7.01
Rot. Bonds10

About 1,1,1,2,2,3,3-heptafluoro-4-(1,1,1,2,2,3,3-heptafluoroheptan-4-yloxy)heptane

1,1,1,2,2,3,3-heptafluoro-4-(1,1,1,2,2,3,3-heptafluoroheptan-4-yloxy)heptane (PubChem CID 18952775) has the molecular formula C14H16F14O and a molecular weight of 466.25 g/mol. Its IUPAC name is 1,1,1,2,2,3,3-heptafluoro-4-(1,1,1,2,2,3,3-heptafluoroheptan-4-yloxy)heptane.

Molecular Properties

Compound Name1,1,1,2,2,3,3-heptafluoro-4-(1,1,1,2,2,3,3-heptafluoroheptan-4-yloxy)heptane
PubChem CID18952775
Molecular FormulaC14H16F14O
Molecular Weight466.25 g/mol
Exact Mass466.10
IUPAC Name1,1,1,2,2,3,3-heptafluoro-4-(1,1,1,2,2,3,3-heptafluoroheptan-4-yloxy)heptane
SMILESCCCC(OC(CCC)C(F)(F)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C14H16F14O/c1-3-5-7(9(15,16)11(19,20)13(23,24)25)29-8(6-4-2)10(17,18)12(21,22)14(26,27)28/h7-8H,3-6H2,1-2H3
InChIKeyOZHHXWAMKFAUKH-UHFFFAOYSA-N
XLogP7.01
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.25
LogP ≤ 57.01
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

1,1,1,2,3,3-Hexafluoro-4-(1,1,2,3,3,3-hexafluoropropoxy)pentane
CID 71405907
Bis(1-(perfluorobutyl)ethyl) ether
CID 21954135
3-(2,2,2-Trifluoroethoxy)hexane
CID 15806351
2-(2,2,2-Trifluoroethoxy)hexane
CID 15806352
4-Ethoxy-1,1,1,2,3,3-hexafluoropentane
CID 13271509
1,1,1,2,3,3-Hexafluoro-4-(3,3,4,5,5,5-hexafluoropentan-2-yloxy)pentane
CID 13271511
1,1,1,2,2-Pentafluoro-3-(1,1,1,2,2-pentafluoropentan-3-yloxy)pentane
CID 18760919
1-Butan-2-yloxy-1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoroheptane
CID 19761921
7-Butan-2-yloxy-1,1,2,2,3,3,4,4,5,5,6,6-dodecafluoroheptane
CID 19761943
1,1,2,2,3,3,4,4,5,5,6,6-Dodecafluoro-7-propan-2-yloxyheptane
CID 19761977
1-(3,3,4,4,4-Pentafluorobutan-2-yloxy)decane
CID 19782012
2-(3,3,3-Trifluoropropoxy)hexane
CID 20614890

Frequently Asked Questions

What is the IUPAC name of 1,1,1,2,2,3,3-heptafluoro-4-(1,1,1,2,2,3,3-heptafluoroheptan-4-yloxy)heptane?
The IUPAC name of 1,1,1,2,2,3,3-heptafluoro-4-(1,1,1,2,2,3,3-heptafluoroheptan-4-yloxy)heptane (CID 18952775) is 1,1,1,2,2,3,3-heptafluoro-4-(1,1,1,2,2,3,3-heptafluoroheptan-4-yloxy)heptane.
What is the SMILES notation for 1,1,1,2,2,3,3-heptafluoro-4-(1,1,1,2,2,3,3-heptafluoroheptan-4-yloxy)heptane?
The canonical SMILES for 1,1,1,2,2,3,3-heptafluoro-4-(1,1,1,2,2,3,3-heptafluoroheptan-4-yloxy)heptane is CCCC(OC(CCC)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-(1,1,1,2,2,3,3-heptafluoroheptan-4-yloxy)heptane?
The InChIKey is OZHHXWAMKFAUKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F14O/c1-3-5-7(9(15,16)11(19,20)13(23,24)25)29-8(6-4-2)10(17,18)12(21,22)14(26,27)28/h7-8H,3-6H2,1-2H3.
What are the key properties of 1,1,1,2,2,3,3-heptafluoro-4-(1,1,1,2,2,3,3-heptafluoroheptan-4-yloxy)heptane?
1,1,1,2,2,3,3-heptafluoro-4-(1,1,1,2,2,3,3-heptafluoroheptan-4-yloxy)heptane has a molecular weight of 466.25 g/mol, XLogP of 7.01, 10 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-(1,1,1,2,2,3,3-heptafluoroheptan-4-yloxy)heptane is sourced from PubChem (CID 18952775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).