ethyl 3,3-bis(4-fluorophenyl)propanoate

C17H16F2O2 — CID 23522917

IUPACethyl 3,3-bis(4-fluorophenyl)propanoate
SMILESCCOC(=O)CC(c1ccc(F)cc1)c1ccc(F)cc1
InChIInChI=1S/C17H16F2O2/c1-2-21-17(20)11-16(12-3-7-14(18)8-4-12)13-5-9-15(19)10-6-13/h3-10,16H,2,11H2,1H3
InChIKeyGACJAZNQJBLTTQ-UHFFFAOYSA-N
MW290.31 g/mol
LogP4.05
Rot. Bonds5

About ethyl 3,3-bis(4-fluorophenyl)propanoate

ethyl 3,3-bis(4-fluorophenyl)propanoate (PubChem CID 23522917) has the molecular formula C17H16F2O2 and a molecular weight of 290.31 g/mol. Its IUPAC name is ethyl 3,3-bis(4-fluorophenyl)propanoate.

Molecular Properties

Compound Nameethyl 3,3-bis(4-fluorophenyl)propanoate
PubChem CID23522917
Molecular FormulaC17H16F2O2
Molecular Weight290.31 g/mol
Exact Mass290.11
IUPAC Nameethyl 3,3-bis(4-fluorophenyl)propanoate
SMILESCCOC(=O)CC(c1ccc(F)cc1)c1ccc(F)cc1
InChIInChI=1S/C17H16F2O2/c1-2-21-17(20)11-16(12-3-7-14(18)8-4-12)13-5-9-15(19)10-6-13/h3-10,16H,2,11H2,1H3
InChIKeyGACJAZNQJBLTTQ-UHFFFAOYSA-N
XLogP4.05
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.31
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

ethyl (3S)-3-amino-3-(4-fluorophenyl)propanoate
CID 723060
ethyl (3R)-3-(4-fluorophenyl)-3-(hydroxyamino)propanoate
CID 125473012
ethyl (3S)-3-(4-fluorophenyl)-3-(hydroxyamino)propanoate
CID 125473011
ethyl 2-[bis(4-fluorophenyl)methylsulfinyl]acetate
CID 141367821
[(1S)-3-ethoxy-1-(4-fluorophenyl)-3-oxopropyl] butanoate
CID 11437511
ethyl (3R)-3-(4-fluorophenyl)-4-nitrobutanoate
CID 124563659
ethyl (3S)-3-(4-fluorophenyl)-4-nitrobutanoate
CID 124563660
ethyl 3-(5,6-dihydrocyclopenta[b]pyran-7-yl)-3-(4-fluorophenyl)propanoate
CID 67771880
ethyl 3-amino-4-(4-fluorophenyl)butanoate
CID 82351777
ethyl 4-(4-fluorophenyl)sulfanyl-3-hydroxybutanoate
CID 82775915
ethyl 2-[1-(4-fluorophenyl)propylamino]acetate
CID 60811601
ethyl 3-(4-fluorophenyl)-3-piperidin-4-ylpropanoate
CID 18071355

Frequently Asked Questions

What is the IUPAC name of ethyl 3,3-bis(4-fluorophenyl)propanoate?
The IUPAC name of ethyl 3,3-bis(4-fluorophenyl)propanoate (CID 23522917) is ethyl 3,3-bis(4-fluorophenyl)propanoate.
What is the SMILES notation for ethyl 3,3-bis(4-fluorophenyl)propanoate?
The canonical SMILES for ethyl 3,3-bis(4-fluorophenyl)propanoate is CCOC(=O)CC(c1ccc(F)cc1)c1ccc(F)cc1.
What is the InChIKey of ethyl 3,3-bis(4-fluorophenyl)propanoate?
The InChIKey is GACJAZNQJBLTTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F2O2/c1-2-21-17(20)11-16(12-3-7-14(18)8-4-12)13-5-9-15(19)10-6-13/h3-10,16H,2,11H2,1H3.
What are the key properties of ethyl 3,3-bis(4-fluorophenyl)propanoate?
ethyl 3,3-bis(4-fluorophenyl)propanoate has a molecular weight of 290.31 g/mol, XLogP of 4.05, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3,3-bis(4-fluorophenyl)propanoate is sourced from PubChem (CID 23522917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).