6,6,6-trifluoro-1-(2,2,2-trifluoroethoxy)hexan-2-one

C8H10F6O2 — CID 103214316

IUPAC6,6,6-trifluoro-1-(2,2,2-trifluoroethoxy)hexan-2-one
SMILESO=C(CCCC(F)(F)F)COCC(F)(F)F
InChIInChI=1S/C8H10F6O2/c9-7(10,11)3-1-2-6(15)4-16-5-8(12,13)14/h1-5H2
InChIKeyFKDKLLWSSYHQDO-UHFFFAOYSA-N
MW252.15 g/mol
LogP2.87
Rot. Bonds6

About 6,6,6-trifluoro-1-(2,2,2-trifluoroethoxy)hexan-2-one

6,6,6-trifluoro-1-(2,2,2-trifluoroethoxy)hexan-2-one (PubChem CID 103214316) has the molecular formula C8H10F6O2 and a molecular weight of 252.15 g/mol. Its IUPAC name is 6,6,6-trifluoro-1-(2,2,2-trifluoroethoxy)hexan-2-one.

Molecular Properties

Compound Name6,6,6-trifluoro-1-(2,2,2-trifluoroethoxy)hexan-2-one
PubChem CID103214316
Molecular FormulaC8H10F6O2
Molecular Weight252.15 g/mol
Exact Mass252.06
IUPAC Name6,6,6-trifluoro-1-(2,2,2-trifluoroethoxy)hexan-2-one
SMILESO=C(CCCC(F)(F)F)COCC(F)(F)F
InChIInChI=1S/C8H10F6O2/c9-7(10,11)3-1-2-6(15)4-16-5-8(12,13)14/h1-5H2
InChIKeyFKDKLLWSSYHQDO-UHFFFAOYSA-N
XLogP2.87
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.15
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1,1,1-Trifluoro-3-hexoxypropan-2-one
CID 10059019
1-(Trifluoromethoxy)hexan-2-one
CID 176438154
1-(1,1,2,2,3,3-Hexafluoropropoxy)-5-methylhexan-2-one
CID 88370719
1-(Trifluoromethoxy)heptan-2-one
CID 89753535
2,4,4,5,5,5-Hexafluoro-2-(2,2,3,3,3-pentafluoropropoxy)pentanoyl fluoride
CID 139793143
1-(3,3,4,4,5,5,6-Heptafluorohexoxy)propan-2-one
CID 163546281
1-Butan-2-yloxy-3,3,4,4,5,5,5-heptafluoropentan-2-one
CID 167232635
(3R)-3-(2,2,2-trifluoroethoxy)hexan-2-one
CID 167251835
(3R)-3-(2,2,3,3-tetrafluoropropoxy)hexan-2-one
CID 169815351
2-Oxohexyl 2,2,2-trifluoroacetate
CID 175241769
1-(2,2,3,3,4,4,5,5,6,6,7,7-Dodecafluoroheptoxy)propan-2-one
CID 15033876
6-(2,2,3,3-Tetrafluoropropoxy)hexan-2-one
CID 43793801

Frequently Asked Questions

What is the IUPAC name of 6,6,6-trifluoro-1-(2,2,2-trifluoroethoxy)hexan-2-one?
The IUPAC name of 6,6,6-trifluoro-1-(2,2,2-trifluoroethoxy)hexan-2-one (CID 103214316) is 6,6,6-trifluoro-1-(2,2,2-trifluoroethoxy)hexan-2-one.
What is the SMILES notation for 6,6,6-trifluoro-1-(2,2,2-trifluoroethoxy)hexan-2-one?
The canonical SMILES for 6,6,6-trifluoro-1-(2,2,2-trifluoroethoxy)hexan-2-one is O=C(CCCC(F)(F)F)COCC(F)(F)F.
What is the InChIKey of 6,6,6-trifluoro-1-(2,2,2-trifluoroethoxy)hexan-2-one?
The InChIKey is FKDKLLWSSYHQDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F6O2/c9-7(10,11)3-1-2-6(15)4-16-5-8(12,13)14/h1-5H2.
What are the key properties of 6,6,6-trifluoro-1-(2,2,2-trifluoroethoxy)hexan-2-one?
6,6,6-trifluoro-1-(2,2,2-trifluoroethoxy)hexan-2-one has a molecular weight of 252.15 g/mol, XLogP of 2.87, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6,6-trifluoro-1-(2,2,2-trifluoroethoxy)hexan-2-one is sourced from PubChem (CID 103214316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).