4-ethyl-1-(2,2,2-trifluoroethoxy)hexan-2-one

C10H17F3O2 — CID 103214335

IUPAC4-ethyl-1-(2,2,2-trifluoroethoxy)hexan-2-one
SMILESCCC(CC)CC(=O)COCC(F)(F)F
InChIInChI=1S/C10H17F3O2/c1-3-8(4-2)5-9(14)6-15-7-10(11,12)13/h8H,3-7H2,1-2H3
InChIKeyTVXVIDIZMBAYBJ-UHFFFAOYSA-N
MW226.24 g/mol
LogP2.96
Rot. Bonds7

About 4-ethyl-1-(2,2,2-trifluoroethoxy)hexan-2-one

4-ethyl-1-(2,2,2-trifluoroethoxy)hexan-2-one (PubChem CID 103214335) has the molecular formula C10H17F3O2 and a molecular weight of 226.24 g/mol. Its IUPAC name is 4-ethyl-1-(2,2,2-trifluoroethoxy)hexan-2-one.

Molecular Properties

Compound Name4-ethyl-1-(2,2,2-trifluoroethoxy)hexan-2-one
PubChem CID103214335
Molecular FormulaC10H17F3O2
Molecular Weight226.24 g/mol
Exact Mass226.12
IUPAC Name4-ethyl-1-(2,2,2-trifluoroethoxy)hexan-2-one
SMILESCCC(CC)CC(=O)COCC(F)(F)F
InChIInChI=1S/C10H17F3O2/c1-3-8(4-2)5-9(14)6-15-7-10(11,12)13/h8H,3-7H2,1-2H3
InChIKeyTVXVIDIZMBAYBJ-UHFFFAOYSA-N
XLogP2.96
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.24
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1,1,2,2,3,3-Hexafluoropropoxy)-5-methylhexan-2-one
CID 88370719
1-(1,1,2,2,3,3-Hexafluoropropoxy)-5-methylhexan-2-one;hydrochloride
CID 88370722
1-[(2R)-4,4-difluoro-2-methyloxolan-2-yl]ethanone
CID 89694570
1-[(2S)-4,4-difluoro-2-methyloxolan-2-yl]ethanone
CID 117815866
1-Ethoxy-1,1-difluoro-3-methylpentan-2-one
CID 123251590
1-[1,1,1,2,4,5,5,5-Octafluoro-4-(1,1,2,2,3,3,3-heptafluoropropoxy)-3-oxopentan-2-yl]oxy-4-(trifluoromethyl)hexan-3-one
CID 123772947
2-(2,2-Difluoroethoxy)-2,4-dimethylhexan-3-one
CID 130457040
2-(2-Fluoroethoxy)-2,4-dimethylheptan-3-one
CID 130457075
1-[(2S)-2-ethyl-4,4-difluorooxolan-2-yl]-2-methylpropan-1-one
CID 130457227
1-(4,4-Difluoro-2-methyloxolan-2-yl)ethanone
CID 134421231
1-[4-(Trifluoromethyl)oxolan-2-yl]ethanone
CID 138517515
1,1-Difluoro-3-methyl-1-(6-propan-2-yloxyhexoxy)butan-2-one
CID 141687864

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-1-(2,2,2-trifluoroethoxy)hexan-2-one?
The IUPAC name of 4-ethyl-1-(2,2,2-trifluoroethoxy)hexan-2-one (CID 103214335) is 4-ethyl-1-(2,2,2-trifluoroethoxy)hexan-2-one.
What is the SMILES notation for 4-ethyl-1-(2,2,2-trifluoroethoxy)hexan-2-one?
The canonical SMILES for 4-ethyl-1-(2,2,2-trifluoroethoxy)hexan-2-one is CCC(CC)CC(=O)COCC(F)(F)F.
What is the InChIKey of 4-ethyl-1-(2,2,2-trifluoroethoxy)hexan-2-one?
The InChIKey is TVXVIDIZMBAYBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3O2/c1-3-8(4-2)5-9(14)6-15-7-10(11,12)13/h8H,3-7H2,1-2H3.
What are the key properties of 4-ethyl-1-(2,2,2-trifluoroethoxy)hexan-2-one?
4-ethyl-1-(2,2,2-trifluoroethoxy)hexan-2-one has a molecular weight of 226.24 g/mol, XLogP of 2.96, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1-(2,2,2-trifluoroethoxy)hexan-2-one is sourced from PubChem (CID 103214335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).