ethyl (4R)-2,2-difluoro-3,4,5-trihydroxypentanoate

C7H12F2O5 — CID 143803967

IUPACethyl (4R)-2,2-difluoro-3,4,5-trihydroxypentanoate
SMILESCCOC(=O)C(F)(F)C(O)[C@H](O)CO
InChIInChI=1S/C7H12F2O5/c1-2-14-6(13)7(8,9)5(12)4(11)3-10/h4-5,10-12H,2-3H2,1H3/t4-,5?/m1/s1
InChIKeyXPBCQKWRFQFBNN-CNZKWPKMSA-N
MW214.16 g/mol
LogP-1.10
Rot. Bonds5

About ethyl (4R)-2,2-difluoro-3,4,5-trihydroxypentanoate

ethyl (4R)-2,2-difluoro-3,4,5-trihydroxypentanoate (PubChem CID 143803967) has the molecular formula C7H12F2O5 and a molecular weight of 214.16 g/mol. Its IUPAC name is ethyl (4R)-2,2-difluoro-3,4,5-trihydroxypentanoate.

Molecular Properties

Compound Nameethyl (4R)-2,2-difluoro-3,4,5-trihydroxypentanoate
PubChem CID143803967
Molecular FormulaC7H12F2O5
Molecular Weight214.16 g/mol
Exact Mass214.07
IUPAC Nameethyl (4R)-2,2-difluoro-3,4,5-trihydroxypentanoate
SMILESCCOC(=O)C(F)(F)C(O)[C@H](O)CO
InChIInChI=1S/C7H12F2O5/c1-2-14-6(13)7(8,9)5(12)4(11)3-10/h4-5,10-12H,2-3H2,1H3/t4-,5?/m1/s1
InChIKeyXPBCQKWRFQFBNN-CNZKWPKMSA-N
XLogP-1.10
TPSA86.99 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.16
LogP ≤ 5-1.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 4-amino-2,2-difluoro-3-hydroxy-5-methylhexanoate
CID 14503329
ethyl 3-amino-2,2-difluoro-4-methylpentanoate
CID 165438541
ethyl (2S,3S,4R,5R)-2,3,4,5,6-pentahydroxy-2-methoxyhexanoate
CID 159843269
ethyl 2,2-difluoro-3-hydroxy-6-methylheptanoate
CID 154300187
ethyl (3R,4S)-4-amino-5-cyclohexyl-2,2-difluoro-3-hydroxypentanoate
CID 22849150
ethyl (4S)-2,2-difluoro-3-hydroxy-5-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoate
CID 146569254
ethyl 2,2-difluoro-3-hydroxy-5-methylsulfanylpentanoate
CID 62398991
ethyl (3R,4S)-4-amino-5-cyclohexyl-2,2-difluoro-3-hydroxypentanoate;hydrochloride
CID 70060480
diethyl 2-fluoro-2-propan-2-ylpropanedioate
CID 88536481
3-ethoxy-2,2-difluoro-3-oxopropanoate
CID 154057917
ethyl (3S)-3-(dimethylamino)-3-ethoxy-2,2-difluoropropanoate
CID 86312455
ethyl (2R,3R,4R)-2-fluoro-3,4,5-trihydroxypentanoate
CID 131864124

Frequently Asked Questions

What is the IUPAC name of ethyl (4R)-2,2-difluoro-3,4,5-trihydroxypentanoate?
The IUPAC name of ethyl (4R)-2,2-difluoro-3,4,5-trihydroxypentanoate (CID 143803967) is ethyl (4R)-2,2-difluoro-3,4,5-trihydroxypentanoate.
What is the SMILES notation for ethyl (4R)-2,2-difluoro-3,4,5-trihydroxypentanoate?
The canonical SMILES for ethyl (4R)-2,2-difluoro-3,4,5-trihydroxypentanoate is CCOC(=O)C(F)(F)C(O)[C@H](O)CO.
What is the InChIKey of ethyl (4R)-2,2-difluoro-3,4,5-trihydroxypentanoate?
The InChIKey is XPBCQKWRFQFBNN-CNZKWPKMSA-N. The full InChI is InChI=1S/C7H12F2O5/c1-2-14-6(13)7(8,9)5(12)4(11)3-10/h4-5,10-12H,2-3H2,1H3/t4-,5?/m1/s1.
What are the key properties of ethyl (4R)-2,2-difluoro-3,4,5-trihydroxypentanoate?
ethyl (4R)-2,2-difluoro-3,4,5-trihydroxypentanoate has a molecular weight of 214.16 g/mol, XLogP of -1.10, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (4R)-2,2-difluoro-3,4,5-trihydroxypentanoate is sourced from PubChem (CID 143803967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).