ethyl 2,2-difluoro-3-hydroxy-5-(2-methoxypropan-2-yloxy)pentanoate

C11H20F2O5 — CID 143620723

IUPACethyl 2,2-difluoro-3-hydroxy-5-(2-methoxypropan-2-yloxy)pentanoate
SMILESCCOC(=O)C(F)(F)C(O)CCOC(C)(C)OC
InChIInChI=1S/C11H20F2O5/c1-5-17-9(15)11(12,13)8(14)6-7-18-10(2,3)16-4/h8,14H,5-7H2,1-4H3
InChIKeyUXMFKABUPMFRDQ-UHFFFAOYSA-N
MW270.27 g/mol
LogP1.33
Rot. Bonds8

About ethyl 2,2-difluoro-3-hydroxy-5-(2-methoxypropan-2-yloxy)pentanoate

ethyl 2,2-difluoro-3-hydroxy-5-(2-methoxypropan-2-yloxy)pentanoate (PubChem CID 143620723) has the molecular formula C11H20F2O5 and a molecular weight of 270.27 g/mol. Its IUPAC name is ethyl 2,2-difluoro-3-hydroxy-5-(2-methoxypropan-2-yloxy)pentanoate.

Molecular Properties

Compound Nameethyl 2,2-difluoro-3-hydroxy-5-(2-methoxypropan-2-yloxy)pentanoate
PubChem CID143620723
Molecular FormulaC11H20F2O5
Molecular Weight270.27 g/mol
Exact Mass270.13
IUPAC Nameethyl 2,2-difluoro-3-hydroxy-5-(2-methoxypropan-2-yloxy)pentanoate
SMILESCCOC(=O)C(F)(F)C(O)CCOC(C)(C)OC
InChIInChI=1S/C11H20F2O5/c1-5-17-9(15)11(12,13)8(14)6-7-18-10(2,3)16-4/h8,14H,5-7H2,1-4H3
InChIKeyUXMFKABUPMFRDQ-UHFFFAOYSA-N
XLogP1.33
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.27
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

ethyl 2,2-difluoro-3-hydroxy-6-methylheptanoate
CID 154300187
ethyl 2,2-difluoro-3-hydroxy-5-methylsulfanylpentanoate
CID 62398991
ethyl 2,2-difluoro-3-hydroxy-3-(oxan-4-yl)propanoate
CID 62396778
ethyl (4R)-2,2-difluoro-3,4,5-trihydroxypentanoate
CID 143803967
ethyl 3-(4-tert-butylcyclohexyl)-2,2-difluoro-3-hydroxypropanoate
CID 104575915
tert-butyl 2,2-difluoro-3-hydroxypentanoate
CID 58239498
ethyl 2,2-difluoro-2-(2-methoxyethoxy)acetate
CID 66455007
ethyl 3-amino-2,2-difluoro-4-methylpentanoate
CID 165438541
ethyl 4-amino-2,2-difluoro-3-hydroxy-5-methylhexanoate
CID 14503329
ethyl (2R)-2-amino-2-fluoropropanoate
CID 57210654
ethyl (3S)-3,5-dihydroxy-2,2-dimethylpentanoate
CID 131852903
ethyl 3-amino-3-cyclopropyl-2,2-difluoropropanoate;hydrochloride
CID 119032090

Frequently Asked Questions

What is the IUPAC name of ethyl 2,2-difluoro-3-hydroxy-5-(2-methoxypropan-2-yloxy)pentanoate?
The IUPAC name of ethyl 2,2-difluoro-3-hydroxy-5-(2-methoxypropan-2-yloxy)pentanoate (CID 143620723) is ethyl 2,2-difluoro-3-hydroxy-5-(2-methoxypropan-2-yloxy)pentanoate.
What is the SMILES notation for ethyl 2,2-difluoro-3-hydroxy-5-(2-methoxypropan-2-yloxy)pentanoate?
The canonical SMILES for ethyl 2,2-difluoro-3-hydroxy-5-(2-methoxypropan-2-yloxy)pentanoate is CCOC(=O)C(F)(F)C(O)CCOC(C)(C)OC.
What is the InChIKey of ethyl 2,2-difluoro-3-hydroxy-5-(2-methoxypropan-2-yloxy)pentanoate?
The InChIKey is UXMFKABUPMFRDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F2O5/c1-5-17-9(15)11(12,13)8(14)6-7-18-10(2,3)16-4/h8,14H,5-7H2,1-4H3.
What are the key properties of ethyl 2,2-difluoro-3-hydroxy-5-(2-methoxypropan-2-yloxy)pentanoate?
ethyl 2,2-difluoro-3-hydroxy-5-(2-methoxypropan-2-yloxy)pentanoate has a molecular weight of 270.27 g/mol, XLogP of 1.33, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2,2-difluoro-3-hydroxy-5-(2-methoxypropan-2-yloxy)pentanoate is sourced from PubChem (CID 143620723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).