ethyl 1-(2,2,2-trifluoroethylamino)-2,3-dihydroindene-1-carboxylate

C14H16F3NO2 — CID 60997641

IUPACethyl 1-(2,2,2-trifluoroethylamino)-2,3-dihydroindene-1-carboxylate
SMILESCCOC(=O)C1(NCC(F)(F)F)CCc2ccccc21
InChIInChI=1S/C14H16F3NO2/c1-2-20-12(19)13(18-9-14(15,16)17)8-7-10-5-3-4-6-11(10)13/h3-6,18H,2,7-9H2,1H3
InChIKeyCFDOULDEWBOPCI-UHFFFAOYSA-N
MW287.28 g/mol
LogP2.54
Rot. Bonds4

About ethyl 1-(2,2,2-trifluoroethylamino)-2,3-dihydroindene-1-carboxylate

ethyl 1-(2,2,2-trifluoroethylamino)-2,3-dihydroindene-1-carboxylate (PubChem CID 60997641) has the molecular formula C14H16F3NO2 and a molecular weight of 287.28 g/mol. Its IUPAC name is ethyl 1-(2,2,2-trifluoroethylamino)-2,3-dihydroindene-1-carboxylate.

Molecular Properties

Compound Nameethyl 1-(2,2,2-trifluoroethylamino)-2,3-dihydroindene-1-carboxylate
PubChem CID60997641
Molecular FormulaC14H16F3NO2
Molecular Weight287.28 g/mol
Exact Mass287.11
IUPAC Nameethyl 1-(2,2,2-trifluoroethylamino)-2,3-dihydroindene-1-carboxylate
SMILESCCOC(=O)C1(NCC(F)(F)F)CCc2ccccc21
InChIInChI=1S/C14H16F3NO2/c1-2-20-12(19)13(18-9-14(15,16)17)8-7-10-5-3-4-6-11(10)13/h3-6,18H,2,7-9H2,1H3
InChIKeyCFDOULDEWBOPCI-UHFFFAOYSA-N
XLogP2.54
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.28
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 1-(2,2,2-trifluoroethylamino)-2,3-dihydroindene-1-carboxylate
CID 54892661
1-(2,2,2-trifluoroethylamino)-2,3-dihydroindene-1-carboxamide
CID 54893156
ethyl 4-(2,2,2-trifluoroethylamino)-2,3-dihydrothiochromene-4-carboxylate
CID 60998110
ethyl 5-(2-methylpropylamino)-6,7,8,9-tetrahydrobenzo[7]annulene-5-carboxylate
CID 61002653
ethyl (1S)-1-[2-(1,2,4-triazol-1-yl)ethylamino]-2,3-dihydroindene-1-carboxylate
CID 97216775
ethyl (1S)-1-[[2-[[(2R)-2-methylbutanoyl]amino]acetyl]amino]-2,3-dihydroindene-1-carboxylate
CID 95768836
ethyl (1S)-1-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methylamino]-2,3-dihydroindene-1-carboxylate
CID 95352366
6-methoxy-1-(2,2,2-trifluoroethylamino)-2,3-dihydroindene-1-carboxamide
CID 79374237
1-(propylamino)-2,3-dihydroindene-1-carboxamide
CID 60796921
ethyl 2,2-difluoro-2-[(1S)-1-hydroxy-2,3-dihydroinden-1-yl]acetate
CID 57381971
ethyl (1S)-1-[(3-chloropyridine-4-carbonyl)amino]-2,3-dihydroindene-1-carboxylate
CID 95905316
ethyl 1-(trifluoromethylsulfonylcarbamoyl)-3,4-dihydro-2H-naphthalene-1-carboxylate
CID 10595868

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(2,2,2-trifluoroethylamino)-2,3-dihydroindene-1-carboxylate?
The IUPAC name of ethyl 1-(2,2,2-trifluoroethylamino)-2,3-dihydroindene-1-carboxylate (CID 60997641) is ethyl 1-(2,2,2-trifluoroethylamino)-2,3-dihydroindene-1-carboxylate.
What is the SMILES notation for ethyl 1-(2,2,2-trifluoroethylamino)-2,3-dihydroindene-1-carboxylate?
The canonical SMILES for ethyl 1-(2,2,2-trifluoroethylamino)-2,3-dihydroindene-1-carboxylate is CCOC(=O)C1(NCC(F)(F)F)CCc2ccccc21.
What is the InChIKey of ethyl 1-(2,2,2-trifluoroethylamino)-2,3-dihydroindene-1-carboxylate?
The InChIKey is CFDOULDEWBOPCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F3NO2/c1-2-20-12(19)13(18-9-14(15,16)17)8-7-10-5-3-4-6-11(10)13/h3-6,18H,2,7-9H2,1H3.
What are the key properties of ethyl 1-(2,2,2-trifluoroethylamino)-2,3-dihydroindene-1-carboxylate?
ethyl 1-(2,2,2-trifluoroethylamino)-2,3-dihydroindene-1-carboxylate has a molecular weight of 287.28 g/mol, XLogP of 2.54, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(2,2,2-trifluoroethylamino)-2,3-dihydroindene-1-carboxylate is sourced from PubChem (CID 60997641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).