ethyl 2-[1-(diethylamino)-5-fluoro-2,3-dihydroinden-1-yl]acetate

C17H24FNO2 — CID 116532301

IUPACethyl 2-[1-(diethylamino)-5-fluoro-2,3-dihydroinden-1-yl]acetate
SMILESCCOC(=O)CC1(N(CC)CC)CCc2cc(F)ccc21
InChIInChI=1S/C17H24FNO2/c1-4-19(5-2)17(12-16(20)21-6-3)10-9-13-11-14(18)7-8-15(13)17/h7-8,11H,4-6,9-10,12H2,1-3H3
InChIKeyGLZXYBSSSXIWOB-UHFFFAOYSA-N
MW293.38 g/mol
LogP3.26
Rot. Bonds6

About ethyl 2-[1-(diethylamino)-5-fluoro-2,3-dihydroinden-1-yl]acetate

ethyl 2-[1-(diethylamino)-5-fluoro-2,3-dihydroinden-1-yl]acetate (PubChem CID 116532301) has the molecular formula C17H24FNO2 and a molecular weight of 293.38 g/mol. Its IUPAC name is ethyl 2-[1-(diethylamino)-5-fluoro-2,3-dihydroinden-1-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[1-(diethylamino)-5-fluoro-2,3-dihydroinden-1-yl]acetate
PubChem CID116532301
Molecular FormulaC17H24FNO2
Molecular Weight293.38 g/mol
Exact Mass293.18
IUPAC Nameethyl 2-[1-(diethylamino)-5-fluoro-2,3-dihydroinden-1-yl]acetate
SMILESCCOC(=O)CC1(N(CC)CC)CCc2cc(F)ccc21
InChIInChI=1S/C17H24FNO2/c1-4-19(5-2)17(12-16(20)21-6-3)10-9-13-11-14(18)7-8-15(13)17/h7-8,11H,4-6,9-10,12H2,1-3H3
InChIKeyGLZXYBSSSXIWOB-UHFFFAOYSA-N
XLogP3.26
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.38
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-(7-fluoro-1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl)acetate
CID 23293598
ethyl 2-[4-(diethylamino)-2,3-dihydrochromen-4-yl]acetate
CID 64539071
ethyl 2-[(2R,4R)-6-fluoro-4-hydroxy-2-methyl-2,3-dihydrochromen-4-yl]acetate
CID 14773401
methyl 2-[5-fluoro-1-(propylamino)-2,3-dihydroinden-1-yl]acetate
CID 116532392
ethyl 2-(1-amino-7-methyl-3,4-dihydro-2H-naphthalen-1-yl)acetate
CID 174154255
1-ethyl-5-fluoro-2,3-dihydroinden-1-ol
CID 59340428
1-[2-(diethylamino)ethylamino]-5-fluoro-2,3-dihydroindene-1-carboxylic acid
CID 116531279
ethyl 2-(4-chloro-6-fluoro-1-hydroxy-2,3-dihydroinden-1-yl)acetate
CID 10978626
ethyl 2-(6-methoxy-1-methyl-3,4-dihydro-2H-naphthalen-1-yl)acetate
CID 101340155
1-(2,4-dimethylphenyl)-5-fluoro-2,3-dihydroinden-1-amine
CID 116531960
ethyl 2-(1-amino-2,3-dihydroinden-1-yl)acetate
CID 79848288
ethyl 1-amino-5-chloro-2,3-dihydroindene-1-carboxylate
CID 56646988

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[1-(diethylamino)-5-fluoro-2,3-dihydroinden-1-yl]acetate?
The IUPAC name of ethyl 2-[1-(diethylamino)-5-fluoro-2,3-dihydroinden-1-yl]acetate (CID 116532301) is ethyl 2-[1-(diethylamino)-5-fluoro-2,3-dihydroinden-1-yl]acetate.
What is the SMILES notation for ethyl 2-[1-(diethylamino)-5-fluoro-2,3-dihydroinden-1-yl]acetate?
The canonical SMILES for ethyl 2-[1-(diethylamino)-5-fluoro-2,3-dihydroinden-1-yl]acetate is CCOC(=O)CC1(N(CC)CC)CCc2cc(F)ccc21.
What is the InChIKey of ethyl 2-[1-(diethylamino)-5-fluoro-2,3-dihydroinden-1-yl]acetate?
The InChIKey is GLZXYBSSSXIWOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24FNO2/c1-4-19(5-2)17(12-16(20)21-6-3)10-9-13-11-14(18)7-8-15(13)17/h7-8,11H,4-6,9-10,12H2,1-3H3.
What are the key properties of ethyl 2-[1-(diethylamino)-5-fluoro-2,3-dihydroinden-1-yl]acetate?
ethyl 2-[1-(diethylamino)-5-fluoro-2,3-dihydroinden-1-yl]acetate has a molecular weight of 293.38 g/mol, XLogP of 3.26, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[1-(diethylamino)-5-fluoro-2,3-dihydroinden-1-yl]acetate is sourced from PubChem (CID 116532301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).