methyl 5-(1,1-difluoroethoxy)-4-ethoxypentanoate

C10H18F2O4 — CID 170248667

IUPACmethyl 5-(1,1-difluoroethoxy)-4-ethoxypentanoate
SMILESCCOC(CCC(=O)OC)COC(C)(F)F
InChIInChI=1S/C10H18F2O4/c1-4-15-8(5-6-9(13)14-3)7-16-10(2,11)12/h8H,4-7H2,1-3H3
InChIKeyZPEOLKAAUKHBOM-UHFFFAOYSA-N
MW240.25 g/mol
LogP1.97
Rot. Bonds8

About methyl 5-(1,1-difluoroethoxy)-4-ethoxypentanoate

methyl 5-(1,1-difluoroethoxy)-4-ethoxypentanoate (PubChem CID 170248667) has the molecular formula C10H18F2O4 and a molecular weight of 240.25 g/mol. Its IUPAC name is methyl 5-(1,1-difluoroethoxy)-4-ethoxypentanoate.

Molecular Properties

Compound Namemethyl 5-(1,1-difluoroethoxy)-4-ethoxypentanoate
PubChem CID170248667
Molecular FormulaC10H18F2O4
Molecular Weight240.25 g/mol
Exact Mass240.12
IUPAC Namemethyl 5-(1,1-difluoroethoxy)-4-ethoxypentanoate
SMILESCCOC(CCC(=O)OC)COC(C)(F)F
InChIInChI=1S/C10H18F2O4/c1-4-15-8(5-6-9(13)14-3)7-16-10(2,11)12/h8H,4-7H2,1-3H3
InChIKeyZPEOLKAAUKHBOM-UHFFFAOYSA-N
XLogP1.97
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.25
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Succinic acid, 2,2,3,3-tetrafluoropropyl tetrahydrofurfuryl ester
CID 91695630
Succinic acid, 2,2,3,3,4,4,5,5-octafluoropentyl tetrahydrofurfuryl ester
CID 91695631
Succinic acid, 1,1,1-trifluoroprop-2-yl tetrahydrofurfuryl ester
CID 91695862
Glutaric acid, 1,1,1-trifluoroprop-2-yl neopentyl ester
CID 91734260
Glutaric acid, 1,1,1-trifluoroprop-2-yl isobutyl ester
CID 91734322
Glutaric acid, 1,1,1-trifluoroprop-2-yl hept-4-yl ester
CID 91734328
Glutaric acid, 1,1,1-trifluoroprop-2-yl 3-hexyl ester
CID 91734329
Glutaric acid, 1,1,1-trifluoroprop-2-yl 2-hexyl ester
CID 91734330
Glutaric acid, 2,2,3,3-tetrafluoropropyl 2-pentyl ester
CID 91736482
Glutaric acid, 2,2,3,3-tetrafluoropropyl 3-hexyl ester
CID 91736497
Glutaric acid, 2,2,3,3-tetrafluoropropyl 2-hexyl ester
CID 91736499
Glutaric acid, 2,2,3,3,4,4,5,5-octafluoropentyl 2-pentyl ester
CID 91742805

Frequently Asked Questions

What is the IUPAC name of methyl 5-(1,1-difluoroethoxy)-4-ethoxypentanoate?
The IUPAC name of methyl 5-(1,1-difluoroethoxy)-4-ethoxypentanoate (CID 170248667) is methyl 5-(1,1-difluoroethoxy)-4-ethoxypentanoate.
What is the SMILES notation for methyl 5-(1,1-difluoroethoxy)-4-ethoxypentanoate?
The canonical SMILES for methyl 5-(1,1-difluoroethoxy)-4-ethoxypentanoate is CCOC(CCC(=O)OC)COC(C)(F)F.
What is the InChIKey of methyl 5-(1,1-difluoroethoxy)-4-ethoxypentanoate?
The InChIKey is ZPEOLKAAUKHBOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F2O4/c1-4-15-8(5-6-9(13)14-3)7-16-10(2,11)12/h8H,4-7H2,1-3H3.
What are the key properties of methyl 5-(1,1-difluoroethoxy)-4-ethoxypentanoate?
methyl 5-(1,1-difluoroethoxy)-4-ethoxypentanoate has a molecular weight of 240.25 g/mol, XLogP of 1.97, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-(1,1-difluoroethoxy)-4-ethoxypentanoate is sourced from PubChem (CID 170248667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).