1,1,2,2,3,3,4,4,5,5,6,6-dodecafluoro-7-(trifluoromethoxy)heptane

C8H3F15O — CID 98454527

IUPAC1,1,2,2,3,3,4,4,5,5,6,6-dodecafluoro-7-(trifluoromethoxy)heptane
SMILESFC(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)COC(F)(F)F
InChIInChI=1S/C8H3F15O/c9-2(10)4(13,14)6(17,18)7(19,20)5(15,16)3(11,12)1-24-8(21,22)23/h2H,1H2
InChIKeyCHGCVCJWHFBIQY-UHFFFAOYSA-N
MW400.08 g/mol
LogP4.96
Rot. Bonds7

About 1,1,2,2,3,3,4,4,5,5,6,6-dodecafluoro-7-(trifluoromethoxy)heptane

1,1,2,2,3,3,4,4,5,5,6,6-dodecafluoro-7-(trifluoromethoxy)heptane (PubChem CID 98454527) has the molecular formula C8H3F15O and a molecular weight of 400.08 g/mol. Its IUPAC name is 1,1,2,2,3,3,4,4,5,5,6,6-dodecafluoro-7-(trifluoromethoxy)heptane.

Molecular Properties

Compound Name1,1,2,2,3,3,4,4,5,5,6,6-dodecafluoro-7-(trifluoromethoxy)heptane
PubChem CID98454527
Molecular FormulaC8H3F15O
Molecular Weight400.08 g/mol
Exact Mass399.99
IUPAC Name1,1,2,2,3,3,4,4,5,5,6,6-dodecafluoro-7-(trifluoromethoxy)heptane
SMILESFC(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)COC(F)(F)F
InChIInChI=1S/C8H3F15O/c9-2(10)4(13,14)6(17,18)7(19,20)5(15,16)3(11,12)1-24-8(21,22)23/h2H,1H2
InChIKeyCHGCVCJWHFBIQY-UHFFFAOYSA-N
XLogP4.96
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.08
LogP ≤ 54.96
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

Octane, 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-heptadecafluoro-8-methoxy-
CID 9889952
Ethyl perfluorooctyl ether
CID 87277037
Ethyl perfluoroheptyl ether
CID 9909702
2,2,3,3,4,4,5,5,6,6,7,7-Dodecafluoroheptoxy(trifluoro)-lambda4-sulfane
CID 12653219
Trifluoro(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluorononoxy)-lambda4-sulfane
CID 14786217
Dodecafluoroheptyl ether
CID 87506221
1,1,2,2,3,3,4,4,5,5,6,6-Dodecafluoro-7-methoxy-heptane
CID 21057573
1,1,2,2,3,3,4,4,5,5,6,6-Dodecafluoro-7-propoxyheptane
CID 15006624
1,1,2,2,3,3,4,4,5,5,6,6-Dodecafluoro-7-(1,1,2,3,3,3-hexafluoropropoxy)heptane
CID 23269218
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-Nonadecafluoro-9-methoxynonane
CID 23432498
Methyl dodecafluoroheptyl ether
CID 129763205
Dodecafluoroheptyl amyl ether
CID 134716405

Frequently Asked Questions

What is the IUPAC name of 1,1,2,2,3,3,4,4,5,5,6,6-dodecafluoro-7-(trifluoromethoxy)heptane?
The IUPAC name of 1,1,2,2,3,3,4,4,5,5,6,6-dodecafluoro-7-(trifluoromethoxy)heptane (CID 98454527) is 1,1,2,2,3,3,4,4,5,5,6,6-dodecafluoro-7-(trifluoromethoxy)heptane.
What is the SMILES notation for 1,1,2,2,3,3,4,4,5,5,6,6-dodecafluoro-7-(trifluoromethoxy)heptane?
The canonical SMILES for 1,1,2,2,3,3,4,4,5,5,6,6-dodecafluoro-7-(trifluoromethoxy)heptane is FC(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)COC(F)(F)F.
What is the InChIKey of 1,1,2,2,3,3,4,4,5,5,6,6-dodecafluoro-7-(trifluoromethoxy)heptane?
The InChIKey is CHGCVCJWHFBIQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H3F15O/c9-2(10)4(13,14)6(17,18)7(19,20)5(15,16)3(11,12)1-24-8(21,22)23/h2H,1H2.
What are the key properties of 1,1,2,2,3,3,4,4,5,5,6,6-dodecafluoro-7-(trifluoromethoxy)heptane?
1,1,2,2,3,3,4,4,5,5,6,6-dodecafluoro-7-(trifluoromethoxy)heptane has a molecular weight of 400.08 g/mol, XLogP of 4.96, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,2,3,3,4,4,5,5,6,6-dodecafluoro-7-(trifluoromethoxy)heptane is sourced from PubChem (CID 98454527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).