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

C13H14F3NO2 — CID 11076588

IUPAC2,2,2-trifluoro-N-[(6-methoxy-2,3-dihydro-1H-inden-1-yl)methyl]acetamide
SMILESCOc1ccc2c(c1)C(CNC(=O)C(F)(F)F)CC2
InChIInChI=1S/C13H14F3NO2/c1-19-10-5-4-8-2-3-9(11(8)6-10)7-17-12(18)13(14,15)16/h4-6,9H,2-3,7H2,1H3,(H,17,18)
InChIKeyDANSBSBFZAMOOR-UHFFFAOYSA-N
MW273.25 g/mol
LogP2.40
Rot. Bonds3

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

2,2,2-trifluoro-N-[(6-methoxy-2,3-dihydro-1H-inden-1-yl)methyl]acetamide (PubChem CID 11076588) has the molecular formula C13H14F3NO2 and a molecular weight of 273.25 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[(6-methoxy-2,3-dihydro-1H-inden-1-yl)methyl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[(6-methoxy-2,3-dihydro-1H-inden-1-yl)methyl]acetamide
PubChem CID11076588
Molecular FormulaC13H14F3NO2
Molecular Weight273.25 g/mol
Exact Mass273.10
IUPAC Name2,2,2-trifluoro-N-[(6-methoxy-2,3-dihydro-1H-inden-1-yl)methyl]acetamide
SMILESCOc1ccc2c(c1)C(CNC(=O)C(F)(F)F)CC2
InChIInChI=1S/C13H14F3NO2/c1-19-10-5-4-8-2-3-9(11(8)6-10)7-17-12(18)13(14,15)16/h4-6,9H,2-3,7H2,1H3,(H,17,18)
InChIKeyDANSBSBFZAMOOR-UHFFFAOYSA-N
XLogP2.40
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.25
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-[(1S)-6-methoxy-2,3-dihydro-1H-inden-1-yl]ethyl]-2-oxopropanamide
CID 142703369
N-[2-[(1S)-6-methoxy-2,3-dihydro-1H-inden-1-yl]ethyl]-2-methylpropanamide
CID 54317020
3,3,3-trifluoro-N-[(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl]propanamide
CID 86794394
2-[(1R)-6-methoxy-2,3-dihydro-1H-inden-1-yl]ethanamine
CID 10900371
N-[(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl]propan-2-amine
CID 79248252
2-[1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]-N-[(6-methoxy-2,3-dihydro-1H-inden-1-yl)methyl]acetamide
CID 10187865
2-(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 82079561
N-[(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)methyl]-3-(4-methoxyphenyl)propanamide
CID 110636033
2,2-difluoro-3-[(6-methoxy-2,3-dihydro-1H-inden-1-yl)amino]propan-1-ol
CID 113463329
ethane;6-methoxy-2,3-dihydro-1H-indene-1-carboxylic acid
CID 142283526
2-(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)ethanol
CID 15720552
4-[[(6-methoxy-2,3-dihydro-1H-indene-1-carbonyl)amino]methyl]benzoic acid
CID 138054713

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[(6-methoxy-2,3-dihydro-1H-inden-1-yl)methyl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[(6-methoxy-2,3-dihydro-1H-inden-1-yl)methyl]acetamide (CID 11076588) is 2,2,2-trifluoro-N-[(6-methoxy-2,3-dihydro-1H-inden-1-yl)methyl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[(6-methoxy-2,3-dihydro-1H-inden-1-yl)methyl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[(6-methoxy-2,3-dihydro-1H-inden-1-yl)methyl]acetamide is COc1ccc2c(c1)C(CNC(=O)C(F)(F)F)CC2.
What is the InChIKey of 2,2,2-trifluoro-N-[(6-methoxy-2,3-dihydro-1H-inden-1-yl)methyl]acetamide?
The InChIKey is DANSBSBFZAMOOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F3NO2/c1-19-10-5-4-8-2-3-9(11(8)6-10)7-17-12(18)13(14,15)16/h4-6,9H,2-3,7H2,1H3,(H,17,18).
What are the key properties of 2,2,2-trifluoro-N-[(6-methoxy-2,3-dihydro-1H-inden-1-yl)methyl]acetamide?
2,2,2-trifluoro-N-[(6-methoxy-2,3-dihydro-1H-inden-1-yl)methyl]acetamide has a molecular weight of 273.25 g/mol, XLogP of 2.40, 3 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-[(6-methoxy-2,3-dihydro-1H-inden-1-yl)methyl]acetamide is sourced from PubChem (CID 11076588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).