ethyl (2R)-2-fluoro-4,4-diphenylbutanoate

C18H19FO2 — CID 155930748

IUPACethyl (2R)-2-fluoro-4,4-diphenylbutanoate
SMILESCCOC(=O)[C@H](F)CC(c1ccccc1)c1ccccc1
InChIInChI=1S/C18H19FO2/c1-2-21-18(20)17(19)13-16(14-9-5-3-6-10-14)15-11-7-4-8-12-15/h3-12,16-17H,2,13H2,1H3/t17-/m1/s1
InChIKeyALJOKXWGKLYJFR-QGZVFWFLSA-N
MW286.35 g/mol
LogP4.11
Rot. Bonds6

About ethyl (2R)-2-fluoro-4,4-diphenylbutanoate

ethyl (2R)-2-fluoro-4,4-diphenylbutanoate (PubChem CID 155930748) has the molecular formula C18H19FO2 and a molecular weight of 286.35 g/mol. Its IUPAC name is ethyl (2R)-2-fluoro-4,4-diphenylbutanoate.

Molecular Properties

Compound Nameethyl (2R)-2-fluoro-4,4-diphenylbutanoate
PubChem CID155930748
Molecular FormulaC18H19FO2
Molecular Weight286.35 g/mol
Exact Mass286.14
IUPAC Nameethyl (2R)-2-fluoro-4,4-diphenylbutanoate
SMILESCCOC(=O)[C@H](F)CC(c1ccccc1)c1ccccc1
InChIInChI=1S/C18H19FO2/c1-2-21-18(20)17(19)13-16(14-9-5-3-6-10-14)15-11-7-4-8-12-15/h3-12,16-17H,2,13H2,1H3/t17-/m1/s1
InChIKeyALJOKXWGKLYJFR-QGZVFWFLSA-N
XLogP4.11
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.35
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Phenethyl phenylacetate
CID 7601
Phenethyl hexanoate
CID 61384
Flurbiprofen Axetil
CID 3395
Iophendylate
CID 7458
Isoamyl phenylacetate
CID 7600
Methyl 3-phenylpropionate
CID 7643
3-Phenylpropyl isobutyrate
CID 7662
Ethyl 3-phenylpropionate
CID 16237
Isobutyl phenylacetate
CID 60998
Hexyl phenylacetate
CID 221691
Phenethyl octanoate
CID 229888
Ethyl 4-phenylbutanoate
CID 61452

Frequently Asked Questions

What is the IUPAC name of ethyl (2R)-2-fluoro-4,4-diphenylbutanoate?
The IUPAC name of ethyl (2R)-2-fluoro-4,4-diphenylbutanoate (CID 155930748) is ethyl (2R)-2-fluoro-4,4-diphenylbutanoate.
What is the SMILES notation for ethyl (2R)-2-fluoro-4,4-diphenylbutanoate?
The canonical SMILES for ethyl (2R)-2-fluoro-4,4-diphenylbutanoate is CCOC(=O)[C@H](F)CC(c1ccccc1)c1ccccc1.
What is the InChIKey of ethyl (2R)-2-fluoro-4,4-diphenylbutanoate?
The InChIKey is ALJOKXWGKLYJFR-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H19FO2/c1-2-21-18(20)17(19)13-16(14-9-5-3-6-10-14)15-11-7-4-8-12-15/h3-12,16-17H,2,13H2,1H3/t17-/m1/s1.
What are the key properties of ethyl (2R)-2-fluoro-4,4-diphenylbutanoate?
ethyl (2R)-2-fluoro-4,4-diphenylbutanoate has a molecular weight of 286.35 g/mol, XLogP of 4.11, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2R)-2-fluoro-4,4-diphenylbutanoate is sourced from PubChem (CID 155930748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).