2-(2,3-dihydro-1H-inden-5-yl)-1-[3-(trifluoromethyl)pyrrolidin-3-yl]ethanone

C16H18F3NO — CID 116572916

IUPAC2-(2,3-dihydro-1H-inden-5-yl)-1-[3-(trifluoromethyl)pyrrolidin-3-yl]ethanone
SMILESO=C(Cc1ccc2c(c1)CCC2)C1(C(F)(F)F)CCNC1
InChIInChI=1S/C16H18F3NO/c17-16(18,19)15(6-7-20-10-15)14(21)9-11-4-5-12-2-1-3-13(12)8-11/h4-5,8,20H,1-3,6-7,9-10H2
InChIKeyMSAJOPKKOLEUDE-UHFFFAOYSA-N
MW297.32 g/mol
LogP2.83
Rot. Bonds3

About 2-(2,3-dihydro-1H-inden-5-yl)-1-[3-(trifluoromethyl)pyrrolidin-3-yl]ethanone

2-(2,3-dihydro-1H-inden-5-yl)-1-[3-(trifluoromethyl)pyrrolidin-3-yl]ethanone (PubChem CID 116572916) has the molecular formula C16H18F3NO and a molecular weight of 297.32 g/mol. Its IUPAC name is 2-(2,3-dihydro-1H-inden-5-yl)-1-[3-(trifluoromethyl)pyrrolidin-3-yl]ethanone.

Molecular Properties

Compound Name2-(2,3-dihydro-1H-inden-5-yl)-1-[3-(trifluoromethyl)pyrrolidin-3-yl]ethanone
PubChem CID116572916
Molecular FormulaC16H18F3NO
Molecular Weight297.32 g/mol
Exact Mass297.13
IUPAC Name2-(2,3-dihydro-1H-inden-5-yl)-1-[3-(trifluoromethyl)pyrrolidin-3-yl]ethanone
SMILESO=C(Cc1ccc2c(c1)CCC2)C1(C(F)(F)F)CCNC1
InChIInChI=1S/C16H18F3NO/c17-16(18,19)15(6-7-20-10-15)14(21)9-11-4-5-12-2-1-3-13(12)8-11/h4-5,8,20H,1-3,6-7,9-10H2
InChIKeyMSAJOPKKOLEUDE-UHFFFAOYSA-N
XLogP2.83
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.32
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1H-inden-5-yl)-1-[3-(trifluoromethyl)pyrrolidin-3-yl]ethanone?
The IUPAC name of 2-(2,3-dihydro-1H-inden-5-yl)-1-[3-(trifluoromethyl)pyrrolidin-3-yl]ethanone (CID 116572916) is 2-(2,3-dihydro-1H-inden-5-yl)-1-[3-(trifluoromethyl)pyrrolidin-3-yl]ethanone.
What is the SMILES notation for 2-(2,3-dihydro-1H-inden-5-yl)-1-[3-(trifluoromethyl)pyrrolidin-3-yl]ethanone?
The canonical SMILES for 2-(2,3-dihydro-1H-inden-5-yl)-1-[3-(trifluoromethyl)pyrrolidin-3-yl]ethanone is O=C(Cc1ccc2c(c1)CCC2)C1(C(F)(F)F)CCNC1.
What is the InChIKey of 2-(2,3-dihydro-1H-inden-5-yl)-1-[3-(trifluoromethyl)pyrrolidin-3-yl]ethanone?
The InChIKey is MSAJOPKKOLEUDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F3NO/c17-16(18,19)15(6-7-20-10-15)14(21)9-11-4-5-12-2-1-3-13(12)8-11/h4-5,8,20H,1-3,6-7,9-10H2.
What are the key properties of 2-(2,3-dihydro-1H-inden-5-yl)-1-[3-(trifluoromethyl)pyrrolidin-3-yl]ethanone?
2-(2,3-dihydro-1H-inden-5-yl)-1-[3-(trifluoromethyl)pyrrolidin-3-yl]ethanone has a molecular weight of 297.32 g/mol, XLogP of 2.83, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1H-inden-5-yl)-1-[3-(trifluoromethyl)pyrrolidin-3-yl]ethanone is sourced from PubChem (CID 116572916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).