[2-(1-butylcyclohexyl)oxy-2-oxoethyl] 2,2-difluoroacetate

C14H22F2O4 — CID 58225766

IUPAC[2-(1-butylcyclohexyl)oxy-2-oxoethyl] 2,2-difluoroacetate
SMILESCCCCC1(OC(=O)COC(=O)C(F)F)CCCCC1
InChIInChI=1S/C14H22F2O4/c1-2-3-7-14(8-5-4-6-9-14)20-11(17)10-19-13(18)12(15)16/h12H,2-10H2,1H3
InChIKeyWXYGYTVSRIYBRG-UHFFFAOYSA-N
MW292.32 g/mol
LogP3.23
Rot. Bonds7

About [2-(1-butylcyclohexyl)oxy-2-oxoethyl] 2,2-difluoroacetate

[2-(1-butylcyclohexyl)oxy-2-oxoethyl] 2,2-difluoroacetate (PubChem CID 58225766) has the molecular formula C14H22F2O4 and a molecular weight of 292.32 g/mol. Its IUPAC name is [2-(1-butylcyclohexyl)oxy-2-oxoethyl] 2,2-difluoroacetate.

Molecular Properties

Compound Name[2-(1-butylcyclohexyl)oxy-2-oxoethyl] 2,2-difluoroacetate
PubChem CID58225766
Molecular FormulaC14H22F2O4
Molecular Weight292.32 g/mol
Exact Mass292.15
IUPAC Name[2-(1-butylcyclohexyl)oxy-2-oxoethyl] 2,2-difluoroacetate
SMILESCCCCC1(OC(=O)COC(=O)C(F)F)CCCCC1
InChIInChI=1S/C14H22F2O4/c1-2-3-7-14(8-5-4-6-9-14)20-11(17)10-19-13(18)12(15)16/h12H,2-10H2,1H3
InChIKeyWXYGYTVSRIYBRG-UHFFFAOYSA-N
XLogP3.23
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.32
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

bis(1-pentylcyclohexyl) butanedioate
CID 174843513
[2-(1-butylcyclohexyl)oxy-2-oxoethyl] 2,2-difluoro-2-oxidoperoxysulfanylacetate
CID 59814163
(1-pentylcyclohexyl) butanoate
CID 101311537
(1-butylcyclopentyl) 2-methylbutanoate
CID 58776787
[2-(1-ethylcyclohexyl)oxy-2-oxoethyl] 3,3-difluoro-2,2-dimethylpropanoate
CID 58391814
[2-oxo-2-(1-propylcyclopentyl)oxyethyl] 2,2-dimethylbutanoate
CID 58887272
1-butyl-1-hydroperoxycyclohexane
CID 18362273
(1-butylcyclopentyl)oxy-fluorophosphinic acid
CID 150124929
[2-[(2-butyl-2-adamantyl)oxy]-2-oxoethyl] 2,2-difluoropropanoate;[2-[(2-butyl-2-bicyclo[2.2.1]heptanyl)oxy]-2-oxoethyl] 2,2-difluoropropanoate;[2-(1-butylcyclohexyl)oxy-2-oxoethyl] 2,2-difluoropropanoate;[2-(1-butylcyclopentyl)oxy-2-oxoethyl] 2,2-difluoropropanoate
CID 123271127
(1-ethylcyclopentyl) pentanoate
CID 123172403
ethyl 2-fluoro-2-(1-hydroxycycloheptyl)acetate
CID 79366378
(1-octylcyclopropyl) octanoate
CID 21488075

Frequently Asked Questions

What is the IUPAC name of [2-(1-butylcyclohexyl)oxy-2-oxoethyl] 2,2-difluoroacetate?
The IUPAC name of [2-(1-butylcyclohexyl)oxy-2-oxoethyl] 2,2-difluoroacetate (CID 58225766) is [2-(1-butylcyclohexyl)oxy-2-oxoethyl] 2,2-difluoroacetate.
What is the SMILES notation for [2-(1-butylcyclohexyl)oxy-2-oxoethyl] 2,2-difluoroacetate?
The canonical SMILES for [2-(1-butylcyclohexyl)oxy-2-oxoethyl] 2,2-difluoroacetate is CCCCC1(OC(=O)COC(=O)C(F)F)CCCCC1.
What is the InChIKey of [2-(1-butylcyclohexyl)oxy-2-oxoethyl] 2,2-difluoroacetate?
The InChIKey is WXYGYTVSRIYBRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22F2O4/c1-2-3-7-14(8-5-4-6-9-14)20-11(17)10-19-13(18)12(15)16/h12H,2-10H2,1H3.
What are the key properties of [2-(1-butylcyclohexyl)oxy-2-oxoethyl] 2,2-difluoroacetate?
[2-(1-butylcyclohexyl)oxy-2-oxoethyl] 2,2-difluoroacetate has a molecular weight of 292.32 g/mol, XLogP of 3.23, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1-butylcyclohexyl)oxy-2-oxoethyl] 2,2-difluoroacetate is sourced from PubChem (CID 58225766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).