ethyl 2,2-difluoro-3-hydroxy-3-(oxan-4-yl)propanoate

C10H16F2O4 — CID 62396778

IUPACethyl 2,2-difluoro-3-hydroxy-3-(oxan-4-yl)propanoate
SMILESCCOC(=O)C(F)(F)C(O)C1CCOCC1
InChIInChI=1S/C10H16F2O4/c1-2-16-9(14)10(11,12)8(13)7-3-5-15-6-4-7/h7-8,13H,2-6H2,1H3
InChIKeyTVLIDLMBYRJHFK-UHFFFAOYSA-N
MW238.23 g/mol
LogP0.97
Rot. Bonds4

About ethyl 2,2-difluoro-3-hydroxy-3-(oxan-4-yl)propanoate

ethyl 2,2-difluoro-3-hydroxy-3-(oxan-4-yl)propanoate (PubChem CID 62396778) has the molecular formula C10H16F2O4 and a molecular weight of 238.23 g/mol. Its IUPAC name is ethyl 2,2-difluoro-3-hydroxy-3-(oxan-4-yl)propanoate.

Molecular Properties

Compound Nameethyl 2,2-difluoro-3-hydroxy-3-(oxan-4-yl)propanoate
PubChem CID62396778
Molecular FormulaC10H16F2O4
Molecular Weight238.23 g/mol
Exact Mass238.10
IUPAC Nameethyl 2,2-difluoro-3-hydroxy-3-(oxan-4-yl)propanoate
SMILESCCOC(=O)C(F)(F)C(O)C1CCOCC1
InChIInChI=1S/C10H16F2O4/c1-2-16-9(14)10(11,12)8(13)7-3-5-15-6-4-7/h7-8,13H,2-6H2,1H3
InChIKeyTVLIDLMBYRJHFK-UHFFFAOYSA-N
XLogP0.97
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.23
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 3-(4-tert-butylcyclohexyl)-2,2-difluoro-3-hydroxypropanoate
CID 104575915
ethyl 2-amino-3-hydroxy-3-(oxan-4-yl)propanoate
CID 66206954
ethyl 3-amino-3-cyclopropyl-2,2-difluoropropanoate;hydrochloride
CID 119032090
ethyl 2-bromo-3-cyclohexyl-2-fluoro-3-hydroxypropanoate
CID 14936847
ethyl (2S,3R)-2-bromo-3-cyclohexyl-2-fluoro-3-hydroxypropanoate
CID 11120034
3-ethoxy-2-(oxan-4-yl)-3-oxopropanoic acid
CID 103973485
2-ethyl-2-methoxy-1-(oxan-4-yl)butan-1-ol
CID 116752752
ethyl (3R,4S)-4-amino-5-cyclohexyl-2,2-difluoro-3-hydroxypentanoate
CID 22849150
ethyl (3R)-3-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-difluoro-3-hydroxypropanoate
CID 13477298
2-ethyl-1-(oxan-4-yl)butane-1,2-diol
CID 103449502
ethyl (3R,4S)-4-amino-5-cyclohexyl-2,2-difluoro-3-hydroxypentanoate;hydrochloride
CID 70060480
ethyl 2,2-difluoro-3-hydroxy-6-methylheptanoate
CID 154300187

Frequently Asked Questions

What is the IUPAC name of ethyl 2,2-difluoro-3-hydroxy-3-(oxan-4-yl)propanoate?
The IUPAC name of ethyl 2,2-difluoro-3-hydroxy-3-(oxan-4-yl)propanoate (CID 62396778) is ethyl 2,2-difluoro-3-hydroxy-3-(oxan-4-yl)propanoate.
What is the SMILES notation for ethyl 2,2-difluoro-3-hydroxy-3-(oxan-4-yl)propanoate?
The canonical SMILES for ethyl 2,2-difluoro-3-hydroxy-3-(oxan-4-yl)propanoate is CCOC(=O)C(F)(F)C(O)C1CCOCC1.
What is the InChIKey of ethyl 2,2-difluoro-3-hydroxy-3-(oxan-4-yl)propanoate?
The InChIKey is TVLIDLMBYRJHFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F2O4/c1-2-16-9(14)10(11,12)8(13)7-3-5-15-6-4-7/h7-8,13H,2-6H2,1H3.
What are the key properties of ethyl 2,2-difluoro-3-hydroxy-3-(oxan-4-yl)propanoate?
ethyl 2,2-difluoro-3-hydroxy-3-(oxan-4-yl)propanoate has a molecular weight of 238.23 g/mol, XLogP of 0.97, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2,2-difluoro-3-hydroxy-3-(oxan-4-yl)propanoate is sourced from PubChem (CID 62396778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).