N-[2-(2,3-dihydro-1H-inden-1-yl)ethyl]-2,2,2-trifluoroacetamide

C13H14F3NO — CID 11097218

IUPACN-[2-(2,3-dihydro-1H-inden-1-yl)ethyl]-2,2,2-trifluoroacetamide
SMILESO=C(NCCC1CCc2ccccc21)C(F)(F)F
InChIInChI=1S/C13H14F3NO/c14-13(15,16)12(18)17-8-7-10-6-5-9-3-1-2-4-11(9)10/h1-4,10H,5-8H2,(H,17,18)
InChIKeyBUDFTCWFIGEREI-UHFFFAOYSA-N
MW257.25 g/mol
LogP2.79
Rot. Bonds3

About N-[2-(2,3-dihydro-1H-inden-1-yl)ethyl]-2,2,2-trifluoroacetamide

N-[2-(2,3-dihydro-1H-inden-1-yl)ethyl]-2,2,2-trifluoroacetamide (PubChem CID 11097218) has the molecular formula C13H14F3NO and a molecular weight of 257.25 g/mol. Its IUPAC name is N-[2-(2,3-dihydro-1H-inden-1-yl)ethyl]-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-[2-(2,3-dihydro-1H-inden-1-yl)ethyl]-2,2,2-trifluoroacetamide
PubChem CID11097218
Molecular FormulaC13H14F3NO
Molecular Weight257.25 g/mol
Exact Mass257.10
IUPAC NameN-[2-(2,3-dihydro-1H-inden-1-yl)ethyl]-2,2,2-trifluoroacetamide
SMILESO=C(NCCC1CCc2ccccc21)C(F)(F)F
InChIInChI=1S/C13H14F3NO/c14-13(15,16)12(18)17-8-7-10-6-5-9-3-1-2-4-11(9)10/h1-4,10H,5-8H2,(H,17,18)
InChIKeyBUDFTCWFIGEREI-UHFFFAOYSA-N
XLogP2.79
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.25
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 10704399
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2,2,2-Trifluoro-N-(3-phenylpropyl)acetamide
CID 576337
2,2,3,3,4,4,4-Heptafluoro-N-(3-phenylpropyl)butanamide
CID 576338
2,2,3,3,4,4,4-Heptafluoro-N-(2-phenylpropyl)butanamide
CID 3302287
N-(2-o-Tolyl-ethyl)-acetamide
CID 15208261
2,2,3,3-tetrafluoro-N-(2-phenylethyl)propanamide
CID 2249412
(2E)-2-(4,6-difluoro-2,3-dihydroinden-1-ylidene)-N-propan-2-ylacetamide
CID 10922970
(2E)-N-cyclopropyl-2-(4,5-difluoro-2,3-dihydroinden-1-ylidene)acetamide
CID 10966884
(2E)-N-cyclobutyl-2-(6-fluoro-2,3-dihydroinden-1-ylidene)acetamide
CID 10977718
(2E)-N-ethyl-2-(6-fluoro-2,3-dihydroinden-1-ylidene)acetamide
CID 10998517
(2E)-2-(4,6-difluoro-2,3-dihydroinden-1-ylidene)-N-ethylacetamide
CID 11020910

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,3-dihydro-1H-inden-1-yl)ethyl]-2,2,2-trifluoroacetamide?
The IUPAC name of N-[2-(2,3-dihydro-1H-inden-1-yl)ethyl]-2,2,2-trifluoroacetamide (CID 11097218) is N-[2-(2,3-dihydro-1H-inden-1-yl)ethyl]-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-[2-(2,3-dihydro-1H-inden-1-yl)ethyl]-2,2,2-trifluoroacetamide?
The canonical SMILES for N-[2-(2,3-dihydro-1H-inden-1-yl)ethyl]-2,2,2-trifluoroacetamide is O=C(NCCC1CCc2ccccc21)C(F)(F)F.
What is the InChIKey of N-[2-(2,3-dihydro-1H-inden-1-yl)ethyl]-2,2,2-trifluoroacetamide?
The InChIKey is BUDFTCWFIGEREI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F3NO/c14-13(15,16)12(18)17-8-7-10-6-5-9-3-1-2-4-11(9)10/h1-4,10H,5-8H2,(H,17,18).
What are the key properties of N-[2-(2,3-dihydro-1H-inden-1-yl)ethyl]-2,2,2-trifluoroacetamide?
N-[2-(2,3-dihydro-1H-inden-1-yl)ethyl]-2,2,2-trifluoroacetamide has a molecular weight of 257.25 g/mol, XLogP of 2.79, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,3-dihydro-1H-inden-1-yl)ethyl]-2,2,2-trifluoroacetamide is sourced from PubChem (CID 11097218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).