ethyl 2,2-difluoro-2-(oxan-2-ylmethoxy)acetate

C10H16F2O4 — CID 66455223

IUPACethyl 2,2-difluoro-2-(oxan-2-ylmethoxy)acetate
SMILESCCOC(=O)C(F)(F)OCC1CCCCO1
InChIInChI=1S/C10H16F2O4/c1-2-14-9(13)10(11,12)16-7-8-5-3-4-6-15-8/h8H,2-7H2,1H3
InChIKeyUWDWHWDHINVEQG-UHFFFAOYSA-N
MW238.23 g/mol
LogP1.73
Rot. Bonds5

About ethyl 2,2-difluoro-2-(oxan-2-ylmethoxy)acetate

ethyl 2,2-difluoro-2-(oxan-2-ylmethoxy)acetate (PubChem CID 66455223) has the molecular formula C10H16F2O4 and a molecular weight of 238.23 g/mol. Its IUPAC name is ethyl 2,2-difluoro-2-(oxan-2-ylmethoxy)acetate.

Molecular Properties

Compound Nameethyl 2,2-difluoro-2-(oxan-2-ylmethoxy)acetate
PubChem CID66455223
Molecular FormulaC10H16F2O4
Molecular Weight238.23 g/mol
Exact Mass238.10
IUPAC Nameethyl 2,2-difluoro-2-(oxan-2-ylmethoxy)acetate
SMILESCCOC(=O)C(F)(F)OCC1CCCCO1
InChIInChI=1S/C10H16F2O4/c1-2-14-9(13)10(11,12)16-7-8-5-3-4-6-15-8/h8H,2-7H2,1H3
InChIKeyUWDWHWDHINVEQG-UHFFFAOYSA-N
XLogP1.73
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.23
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

oxan-2-ylmethyl 2-amino-3,3,3-trifluoro-2-methylpropanoate
CID 79799046
ethyl 2-methyl-2-[[(2S)-oxan-2-yl]methylsulfanyl]propanoate
CID 59268005
2-methyl-2-(oxan-2-ylmethoxy)propanoic acid
CID 82238709
ethyl 2-(oxepan-2-yl)acetate
CID 14174537
ethyl 2,2-difluoro-2-(piperidin-4-ylmethoxy)acetate
CID 83212988
ethyl 2-[[(2R)-oxolan-2-yl]methoxy]acetate
CID 28940137
oxan-2-ylmethyl 2-methylbutanoate
CID 78836820
ethyl 2-(2-ethoxy-1,1-difluoro-2-oxoethoxy)-2,2-difluoroacetate
CID 13141611
2-fluoro-1-[2-(oxan-2-ylmethoxy)-2-oxoethoxy]-1-oxopropane-2-sulfonic acid
CID 146773811
[(2R)-oxolan-2-yl]methyl propanoate
CID 36691172
diethyl 2-ethyl-2-[3-(oxolan-2-yl)propyl]propanedioate
CID 103973035
2-ethoxycarbonyl-2-methyl-4-(oxolan-2-yl)butanoic acid
CID 103973806

Frequently Asked Questions

What is the IUPAC name of ethyl 2,2-difluoro-2-(oxan-2-ylmethoxy)acetate?
The IUPAC name of ethyl 2,2-difluoro-2-(oxan-2-ylmethoxy)acetate (CID 66455223) is ethyl 2,2-difluoro-2-(oxan-2-ylmethoxy)acetate.
What is the SMILES notation for ethyl 2,2-difluoro-2-(oxan-2-ylmethoxy)acetate?
The canonical SMILES for ethyl 2,2-difluoro-2-(oxan-2-ylmethoxy)acetate is CCOC(=O)C(F)(F)OCC1CCCCO1.
What is the InChIKey of ethyl 2,2-difluoro-2-(oxan-2-ylmethoxy)acetate?
The InChIKey is UWDWHWDHINVEQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F2O4/c1-2-14-9(13)10(11,12)16-7-8-5-3-4-6-15-8/h8H,2-7H2,1H3.
What are the key properties of ethyl 2,2-difluoro-2-(oxan-2-ylmethoxy)acetate?
ethyl 2,2-difluoro-2-(oxan-2-ylmethoxy)acetate has a molecular weight of 238.23 g/mol, XLogP of 1.73, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2,2-difluoro-2-(oxan-2-ylmethoxy)acetate is sourced from PubChem (CID 66455223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).