2,2,2-trifluoro-N-[3-(6-methoxy-2,3-dihydro-1H-inden-1-yl)propyl]acetamide

C15H18F3NO2 — CID 11066559

IUPAC2,2,2-trifluoro-N-[3-(6-methoxy-2,3-dihydro-1H-inden-1-yl)propyl]acetamide
SMILESCOc1ccc2c(c1)C(CCCNC(=O)C(F)(F)F)CC2
InChIInChI=1S/C15H18F3NO2/c1-21-12-7-6-11-5-4-10(13(11)9-12)3-2-8-19-14(20)15(16,17)18/h6-7,9-10H,2-5,8H2,1H3,(H,19,20)
InChIKeyHVUJGNBKHDFTFK-UHFFFAOYSA-N
MW301.31 g/mol
LogP3.18
Rot. Bonds5

About 2,2,2-trifluoro-N-[3-(6-methoxy-2,3-dihydro-1H-inden-1-yl)propyl]acetamide

2,2,2-trifluoro-N-[3-(6-methoxy-2,3-dihydro-1H-inden-1-yl)propyl]acetamide (PubChem CID 11066559) has the molecular formula C15H18F3NO2 and a molecular weight of 301.31 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[3-(6-methoxy-2,3-dihydro-1H-inden-1-yl)propyl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[3-(6-methoxy-2,3-dihydro-1H-inden-1-yl)propyl]acetamide
PubChem CID11066559
Molecular FormulaC15H18F3NO2
Molecular Weight301.31 g/mol
Exact Mass301.13
IUPAC Name2,2,2-trifluoro-N-[3-(6-methoxy-2,3-dihydro-1H-inden-1-yl)propyl]acetamide
SMILESCOc1ccc2c(c1)C(CCCNC(=O)C(F)(F)F)CC2
InChIInChI=1S/C15H18F3NO2/c1-21-12-7-6-11-5-4-10(13(11)9-12)3-2-8-19-14(20)15(16,17)18/h6-7,9-10H,2-5,8H2,1H3,(H,19,20)
InChIKeyHVUJGNBKHDFTFK-UHFFFAOYSA-N
XLogP3.18
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.31
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[3-(6-methoxy-2,3-dihydro-1H-inden-1-yl)propyl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[3-(6-methoxy-2,3-dihydro-1H-inden-1-yl)propyl]acetamide (CID 11066559) is 2,2,2-trifluoro-N-[3-(6-methoxy-2,3-dihydro-1H-inden-1-yl)propyl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[3-(6-methoxy-2,3-dihydro-1H-inden-1-yl)propyl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[3-(6-methoxy-2,3-dihydro-1H-inden-1-yl)propyl]acetamide is COc1ccc2c(c1)C(CCCNC(=O)C(F)(F)F)CC2.
What is the InChIKey of 2,2,2-trifluoro-N-[3-(6-methoxy-2,3-dihydro-1H-inden-1-yl)propyl]acetamide?
The InChIKey is HVUJGNBKHDFTFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F3NO2/c1-21-12-7-6-11-5-4-10(13(11)9-12)3-2-8-19-14(20)15(16,17)18/h6-7,9-10H,2-5,8H2,1H3,(H,19,20).
What are the key properties of 2,2,2-trifluoro-N-[3-(6-methoxy-2,3-dihydro-1H-inden-1-yl)propyl]acetamide?
2,2,2-trifluoro-N-[3-(6-methoxy-2,3-dihydro-1H-inden-1-yl)propyl]acetamide has a molecular weight of 301.31 g/mol, XLogP of 3.18, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[3-(6-methoxy-2,3-dihydro-1H-inden-1-yl)propyl]acetamide is sourced from PubChem (CID 11066559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).