ethyl 2,2-difluoro-3-(4-fluorophenyl)-3-phenylmethoxypropanoate

C18H17F3O3 — CID 10925783

IUPACethyl 2,2-difluoro-3-(4-fluorophenyl)-3-phenylmethoxypropanoate
SMILESCCOC(=O)C(F)(F)C(OCc1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C18H17F3O3/c1-2-23-17(22)18(20,21)16(14-8-10-15(19)11-9-14)24-12-13-6-4-3-5-7-13/h3-11,16H,2,12H2,1H3
InChIKeyZAXXLPXAJFTJKM-UHFFFAOYSA-N
MW338.33 g/mol
LogP4.28
Rot. Bonds7

About ethyl 2,2-difluoro-3-(4-fluorophenyl)-3-phenylmethoxypropanoate

ethyl 2,2-difluoro-3-(4-fluorophenyl)-3-phenylmethoxypropanoate (PubChem CID 10925783) has the molecular formula C18H17F3O3 and a molecular weight of 338.33 g/mol. Its IUPAC name is ethyl 2,2-difluoro-3-(4-fluorophenyl)-3-phenylmethoxypropanoate.

Molecular Properties

Compound Nameethyl 2,2-difluoro-3-(4-fluorophenyl)-3-phenylmethoxypropanoate
PubChem CID10925783
Molecular FormulaC18H17F3O3
Molecular Weight338.33 g/mol
Exact Mass338.11
IUPAC Nameethyl 2,2-difluoro-3-(4-fluorophenyl)-3-phenylmethoxypropanoate
SMILESCCOC(=O)C(F)(F)C(OCc1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C18H17F3O3/c1-2-23-17(22)18(20,21)16(14-8-10-15(19)11-9-14)24-12-13-6-4-3-5-7-13/h3-11,16H,2,12H2,1H3
InChIKeyZAXXLPXAJFTJKM-UHFFFAOYSA-N
XLogP4.28
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.33
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2,2-difluoro-3-phenyl-3-phenylmethoxypropanoic acid
CID 139665547
(1R,3R)-2,2-difluoro-1-(4-fluorophenyl)-1-phenylmethoxyhex-5-en-3-ol
CID 15856347
methyl 4-ethoxy-3,3-difluoro-4-(4-fluorophenyl)-2-oxobutanoate
CID 11289262
ethyl 2-benzyl-2-cyano-3-(4-fluorophenyl)propanoate
CID 175273324
ethyl (3S)-3-amino-2,2-difluoro-3-(3-phenylmethoxyphenyl)propanoate
CID 171250199
ethyl (3R)-3-amino-3-[4-(benzylamino)phenyl]-2,2-difluoropropanoate
CID 171240145
diethyl 3-phenylmethoxypentanedioate
CID 73212048
4-[(1S)-1-amino-3-ethoxy-2,2-difluoro-3-oxopropyl]benzoic acid
CID 171245565
ethyl 2,2-difluoro-3-hydroxy-5-methyl-4-(phenylmethoxycarbonylamino)hexanoate
CID 14134880
ethyl (3S)-2,2-difluoro-3-naphthalen-2-yl-3-propanoyloxypropanoate
CID 102406354
ethyl 3,3-bis(4-fluorophenyl)propanoate
CID 23522917
2-(4-fluorophenoxy)-2-methyl-3-(4-phenylmethoxyphenyl)-3-(2,2,2-trifluoroacetyl)oxypropanoic acid
CID 21084310

Frequently Asked Questions

What is the IUPAC name of ethyl 2,2-difluoro-3-(4-fluorophenyl)-3-phenylmethoxypropanoate?
The IUPAC name of ethyl 2,2-difluoro-3-(4-fluorophenyl)-3-phenylmethoxypropanoate (CID 10925783) is ethyl 2,2-difluoro-3-(4-fluorophenyl)-3-phenylmethoxypropanoate.
What is the SMILES notation for ethyl 2,2-difluoro-3-(4-fluorophenyl)-3-phenylmethoxypropanoate?
The canonical SMILES for ethyl 2,2-difluoro-3-(4-fluorophenyl)-3-phenylmethoxypropanoate is CCOC(=O)C(F)(F)C(OCc1ccccc1)c1ccc(F)cc1.
What is the InChIKey of ethyl 2,2-difluoro-3-(4-fluorophenyl)-3-phenylmethoxypropanoate?
The InChIKey is ZAXXLPXAJFTJKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F3O3/c1-2-23-17(22)18(20,21)16(14-8-10-15(19)11-9-14)24-12-13-6-4-3-5-7-13/h3-11,16H,2,12H2,1H3.
What are the key properties of ethyl 2,2-difluoro-3-(4-fluorophenyl)-3-phenylmethoxypropanoate?
ethyl 2,2-difluoro-3-(4-fluorophenyl)-3-phenylmethoxypropanoate has a molecular weight of 338.33 g/mol, XLogP of 4.28, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2,2-difluoro-3-(4-fluorophenyl)-3-phenylmethoxypropanoate is sourced from PubChem (CID 10925783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).