2,2,2-trifluoro-N-[3-(2,3,4,7-tetrahydro-1H-inden-1-yl)propyl]acetamide

C14H18F3NO — CID 22758132

IUPAC2,2,2-trifluoro-N-[3-(2,3,4,7-tetrahydro-1H-inden-1-yl)propyl]acetamide
SMILESO=C(NCCCC1CCC2=C1CC=CC2)C(F)(F)F
InChIInChI=1S/C14H18F3NO/c15-14(16,17)13(19)18-9-3-5-11-8-7-10-4-1-2-6-12(10)11/h1-2,11H,3-9H2,(H,18,19)
InChIKeyBTUPWVYCHUDTCC-UHFFFAOYSA-N
MW273.30 g/mol
LogP3.50
Rot. Bonds4

About 2,2,2-trifluoro-N-[3-(2,3,4,7-tetrahydro-1H-inden-1-yl)propyl]acetamide

2,2,2-trifluoro-N-[3-(2,3,4,7-tetrahydro-1H-inden-1-yl)propyl]acetamide (PubChem CID 22758132) has the molecular formula C14H18F3NO and a molecular weight of 273.30 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[3-(2,3,4,7-tetrahydro-1H-inden-1-yl)propyl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[3-(2,3,4,7-tetrahydro-1H-inden-1-yl)propyl]acetamide
PubChem CID22758132
Molecular FormulaC14H18F3NO
Molecular Weight273.30 g/mol
Exact Mass273.13
IUPAC Name2,2,2-trifluoro-N-[3-(2,3,4,7-tetrahydro-1H-inden-1-yl)propyl]acetamide
SMILESO=C(NCCCC1CCC2=C1CC=CC2)C(F)(F)F
InChIInChI=1S/C14H18F3NO/c15-14(16,17)13(19)18-9-3-5-11-8-7-10-4-1-2-6-12(10)11/h1-2,11H,3-9H2,(H,18,19)
InChIKeyBTUPWVYCHUDTCC-UHFFFAOYSA-N
XLogP3.50
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.30
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[3-(2,3,4,7-tetrahydro-1H-inden-1-yl)propyl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[3-(2,3,4,7-tetrahydro-1H-inden-1-yl)propyl]acetamide (CID 22758132) is 2,2,2-trifluoro-N-[3-(2,3,4,7-tetrahydro-1H-inden-1-yl)propyl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[3-(2,3,4,7-tetrahydro-1H-inden-1-yl)propyl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[3-(2,3,4,7-tetrahydro-1H-inden-1-yl)propyl]acetamide is O=C(NCCCC1CCC2=C1CC=CC2)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-[3-(2,3,4,7-tetrahydro-1H-inden-1-yl)propyl]acetamide?
The InChIKey is BTUPWVYCHUDTCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F3NO/c15-14(16,17)13(19)18-9-3-5-11-8-7-10-4-1-2-6-12(10)11/h1-2,11H,3-9H2,(H,18,19).
What are the key properties of 2,2,2-trifluoro-N-[3-(2,3,4,7-tetrahydro-1H-inden-1-yl)propyl]acetamide?
2,2,2-trifluoro-N-[3-(2,3,4,7-tetrahydro-1H-inden-1-yl)propyl]acetamide has a molecular weight of 273.30 g/mol, XLogP of 3.50, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[3-(2,3,4,7-tetrahydro-1H-inden-1-yl)propyl]acetamide is sourced from PubChem (CID 22758132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).