ethyl 3-(diethylamino)-3-(3-fluorophenyl)pentanoate

C17H26FNO2 — CID 114873026

IUPACethyl 3-(diethylamino)-3-(3-fluorophenyl)pentanoate
SMILESCCOC(=O)CC(CC)(c1cccc(F)c1)N(CC)CC
InChIInChI=1S/C17H26FNO2/c1-5-17(19(6-2)7-3,13-16(20)21-8-4)14-10-9-11-15(18)12-14/h9-12H,5-8,13H2,1-4H3
InChIKeyTXKOFQYCYYCPDP-UHFFFAOYSA-N
MW295.40 g/mol
LogP3.73
Rot. Bonds8

About ethyl 3-(diethylamino)-3-(3-fluorophenyl)pentanoate

ethyl 3-(diethylamino)-3-(3-fluorophenyl)pentanoate (PubChem CID 114873026) has the molecular formula C17H26FNO2 and a molecular weight of 295.40 g/mol. Its IUPAC name is ethyl 3-(diethylamino)-3-(3-fluorophenyl)pentanoate.

Molecular Properties

Compound Nameethyl 3-(diethylamino)-3-(3-fluorophenyl)pentanoate
PubChem CID114873026
Molecular FormulaC17H26FNO2
Molecular Weight295.40 g/mol
Exact Mass295.19
IUPAC Nameethyl 3-(diethylamino)-3-(3-fluorophenyl)pentanoate
SMILESCCOC(=O)CC(CC)(c1cccc(F)c1)N(CC)CC
InChIInChI=1S/C17H26FNO2/c1-5-17(19(6-2)7-3,13-16(20)21-8-4)14-10-9-11-15(18)12-14/h9-12H,5-8,13H2,1-4H3
InChIKeyTXKOFQYCYYCPDP-UHFFFAOYSA-N
XLogP3.73
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.40
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

diethyl 2-ethyl-2-(3-fluorophenyl)propanedioate
CID 103973181
ethyl 2-(3-fluorophenyl)-2-hydroxybutanoate
CID 114872880
ethyl 3-(3-bromophenyl)-3-(diethylamino)butanoate
CID 64539273
ethyl 2-fluoro-3-(3-fluorophenyl)-3-hydroxybutanoate
CID 79367020
diethyl 2-[1-(3-fluorophenyl)-1-hydroxyethyl]propanedioate
CID 62395295
ethyl 3-(diethylamino)-3-(3,4-difluorophenyl)butanoate
CID 64540103
ethyl 2-(aminomethyl)-4-cyclopropyl-2-(3-fluorophenyl)butanoate
CID 106490280
ethyl 2-(cyclopentylamino)-2-(3-fluorophenyl)butanoate
CID 114871991
ethyl 3-(4-bromophenyl)-3-(dimethylamino)pentanoate
CID 64539878
ethyl 2-(aminomethyl)-2-(3-fluorophenyl)-6-hydroxyhexanoate
CID 106490298
ethyl 2-(3-fluorophenyl)-2-piperazin-1-ylpropanoate
CID 61002608
3-(3-fluorophenyl)-3-(methylamino)pentanamide
CID 114873102

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(diethylamino)-3-(3-fluorophenyl)pentanoate?
The IUPAC name of ethyl 3-(diethylamino)-3-(3-fluorophenyl)pentanoate (CID 114873026) is ethyl 3-(diethylamino)-3-(3-fluorophenyl)pentanoate.
What is the SMILES notation for ethyl 3-(diethylamino)-3-(3-fluorophenyl)pentanoate?
The canonical SMILES for ethyl 3-(diethylamino)-3-(3-fluorophenyl)pentanoate is CCOC(=O)CC(CC)(c1cccc(F)c1)N(CC)CC.
What is the InChIKey of ethyl 3-(diethylamino)-3-(3-fluorophenyl)pentanoate?
The InChIKey is TXKOFQYCYYCPDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26FNO2/c1-5-17(19(6-2)7-3,13-16(20)21-8-4)14-10-9-11-15(18)12-14/h9-12H,5-8,13H2,1-4H3.
What are the key properties of ethyl 3-(diethylamino)-3-(3-fluorophenyl)pentanoate?
ethyl 3-(diethylamino)-3-(3-fluorophenyl)pentanoate has a molecular weight of 295.40 g/mol, XLogP of 3.73, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(diethylamino)-3-(3-fluorophenyl)pentanoate is sourced from PubChem (CID 114873026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).