N-(6,7-dihydro-3H-inden-4-yl)-2,2,2-trifluoroacetamide

C11H10F3NO — CID 88688295

IUPACN-(6,7-dihydro-3H-inden-4-yl)-2,2,2-trifluoroacetamide
SMILESC1CC2=C(CC=C2)C(=C1)NC(=O)C(F)(F)F
InChIInChI=1S/C11H10F3NO/c12-11(13,14)10(16)15-9-6-2-4-7-3-1-5-8(7)9/h1,3,6H,2,4-5H2,(H,15,16)
InChIKeyQSILQVNZVRMMSF-UHFFFAOYSA-N
MW229.20 g/mol
LogP2.10
Rot. Bonds1

About N-(6,7-dihydro-3H-inden-4-yl)-2,2,2-trifluoroacetamide

N-(6,7-dihydro-3H-inden-4-yl)-2,2,2-trifluoroacetamide (PubChem CID 88688295) has the molecular formula C11H10F3NO and a molecular weight of 229.20 g/mol. Its IUPAC name is N-(6,7-dihydro-3H-inden-4-yl)-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-(6,7-dihydro-3H-inden-4-yl)-2,2,2-trifluoroacetamide
PubChem CID88688295
Molecular FormulaC11H10F3NO
Molecular Weight229.20 g/mol
Exact Mass229.07
IUPAC NameN-(6,7-dihydro-3H-inden-4-yl)-2,2,2-trifluoroacetamide
SMILESC1CC2=C(CC=C2)C(=C1)NC(=O)C(F)(F)F
InChIInChI=1S/C11H10F3NO/c12-11(13,14)10(16)15-9-6-2-4-7-3-1-5-8(7)9/h1,3,6H,2,4-5H2,(H,15,16)
InChIKeyQSILQVNZVRMMSF-UHFFFAOYSA-N
XLogP2.10
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity415

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.20
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 46942366
6-(2,2,2-Trifluoroethyl)-4-(trifluoromethyl)-1,5-dihydropyrrolo[2,3-g]quinolin-2-one
CID 22218162
4-(2-Fluorocyclohexa-1,3-dien-1-yl)-5-methylidenepyrrol-2-one
CID 89336671
4-(1,1-difluoropropyl)-6-methyl-1H-pyridin-2-one
CID 121440112
N-[6-methyl-3-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]acetamide
CID 126661691
N-[4-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]acetamide
CID 126663639
ethane;5-ethenyl-3,3-difluoro-4-prop-1-en-2-yl-1H-pyrrol-2-one
CID 145414211
3,3-difluoro-4-methyl-5,6-dihydro-1H-indol-2-one;ethane
CID 145414261
3,3-difluoro-5,6-dihydro-1H-indol-2-one;molecular hydrogen
CID 156714923
N-[3-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]acetamide
CID 162559078
N-[3,5-bis(trifluoromethyl)cyclohexa-1,3-dien-1-yl]prop-2-enamide
CID 169989387
N-(4,7-Dihydro-1h-Inden-6-Yl)acetamide
CID 137347979

Frequently Asked Questions

What is the IUPAC name of N-(6,7-dihydro-3H-inden-4-yl)-2,2,2-trifluoroacetamide?
The IUPAC name of N-(6,7-dihydro-3H-inden-4-yl)-2,2,2-trifluoroacetamide (CID 88688295) is N-(6,7-dihydro-3H-inden-4-yl)-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-(6,7-dihydro-3H-inden-4-yl)-2,2,2-trifluoroacetamide?
The canonical SMILES for N-(6,7-dihydro-3H-inden-4-yl)-2,2,2-trifluoroacetamide is C1CC2=C(CC=C2)C(=C1)NC(=O)C(F)(F)F.
What is the InChIKey of N-(6,7-dihydro-3H-inden-4-yl)-2,2,2-trifluoroacetamide?
The InChIKey is QSILQVNZVRMMSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F3NO/c12-11(13,14)10(16)15-9-6-2-4-7-3-1-5-8(7)9/h1,3,6H,2,4-5H2,(H,15,16).
What are the key properties of N-(6,7-dihydro-3H-inden-4-yl)-2,2,2-trifluoroacetamide?
N-(6,7-dihydro-3H-inden-4-yl)-2,2,2-trifluoroacetamide has a molecular weight of 229.20 g/mol, XLogP of 2.10, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6,7-dihydro-3H-inden-4-yl)-2,2,2-trifluoroacetamide is sourced from PubChem (CID 88688295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).