4-ethyl-1-(2,2,3,3-tetrafluoropropoxy)hexan-2-one

C11H18F4O2 — CID 103473638

IUPAC4-ethyl-1-(2,2,3,3-tetrafluoropropoxy)hexan-2-one
SMILESCCC(CC)CC(=O)COCC(F)(F)C(F)F
InChIInChI=1S/C11H18F4O2/c1-3-8(4-2)5-9(16)6-17-7-11(14,15)10(12)13/h8,10H,3-7H2,1-2H3
InChIKeyFBUCFXXJTRALEN-UHFFFAOYSA-N
MW258.25 g/mol
LogP3.30
Rot. Bonds9

About 4-ethyl-1-(2,2,3,3-tetrafluoropropoxy)hexan-2-one

4-ethyl-1-(2,2,3,3-tetrafluoropropoxy)hexan-2-one (PubChem CID 103473638) has the molecular formula C11H18F4O2 and a molecular weight of 258.25 g/mol. Its IUPAC name is 4-ethyl-1-(2,2,3,3-tetrafluoropropoxy)hexan-2-one.

Molecular Properties

Compound Name4-ethyl-1-(2,2,3,3-tetrafluoropropoxy)hexan-2-one
PubChem CID103473638
Molecular FormulaC11H18F4O2
Molecular Weight258.25 g/mol
Exact Mass258.12
IUPAC Name4-ethyl-1-(2,2,3,3-tetrafluoropropoxy)hexan-2-one
SMILESCCC(CC)CC(=O)COCC(F)(F)C(F)F
InChIInChI=1S/C11H18F4O2/c1-3-8(4-2)5-9(16)6-17-7-11(14,15)10(12)13/h8,10H,3-7H2,1-2H3
InChIKeyFBUCFXXJTRALEN-UHFFFAOYSA-N
XLogP3.30
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.25
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

Ethyl 5,5,5-trifluoro-2-oxo-4-(trifluoromethyl)pentanoate
CID 15340322
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-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
1,1-Difluoro-3-methyl-1-(6-propan-2-yloxyhexoxy)butan-2-one
CID 141687864
1-[(2S)-4,4-difluoro-2-methyloxolan-2-yl]ethanone;ethane
CID 144773592
5,5,7,7,7-Pentafluoro-4,4,6,6-tetramethyl-2-propoxyheptan-3-one
CID 170368128
1,1,1-trifluoro-3-methyl-3-[(3R)-2,2,3-trimethylhexoxy]butan-2-one
CID 170368207
1-(3,3-Difluorocyclobutyl)-2-[(2-methylpropan-2-yl)oxy]ethanone
CID 170420576

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-1-(2,2,3,3-tetrafluoropropoxy)hexan-2-one?
The IUPAC name of 4-ethyl-1-(2,2,3,3-tetrafluoropropoxy)hexan-2-one (CID 103473638) is 4-ethyl-1-(2,2,3,3-tetrafluoropropoxy)hexan-2-one.
What is the SMILES notation for 4-ethyl-1-(2,2,3,3-tetrafluoropropoxy)hexan-2-one?
The canonical SMILES for 4-ethyl-1-(2,2,3,3-tetrafluoropropoxy)hexan-2-one is CCC(CC)CC(=O)COCC(F)(F)C(F)F.
What is the InChIKey of 4-ethyl-1-(2,2,3,3-tetrafluoropropoxy)hexan-2-one?
The InChIKey is FBUCFXXJTRALEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F4O2/c1-3-8(4-2)5-9(16)6-17-7-11(14,15)10(12)13/h8,10H,3-7H2,1-2H3.
What are the key properties of 4-ethyl-1-(2,2,3,3-tetrafluoropropoxy)hexan-2-one?
4-ethyl-1-(2,2,3,3-tetrafluoropropoxy)hexan-2-one has a molecular weight of 258.25 g/mol, XLogP of 3.30, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1-(2,2,3,3-tetrafluoropropoxy)hexan-2-one is sourced from PubChem (CID 103473638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).