N-(2,3-dihydro-1H-isoindol-5-yl)-2,2,2-trifluoroacetamide;hydrochloride

C10H10ClF3N2O — CID 122151334

IUPACN-(2,3-dihydro-1H-isoindol-5-yl)-2,2,2-trifluoroacetamide;hydrochloride
SMILESCl.O=C(Nc1ccc2c(c1)CNC2)C(F)(F)F
InChIInChI=1S/C10H9F3N2O.ClH/c11-10(12,13)9(16)15-8-2-1-6-4-14-5-7(6)3-8;/h1-3,14H,4-5H2,(H,15,16);1H
InChIKeyTZAUCLMNZOKHKN-UHFFFAOYSA-N
MW266.65 g/mol
LogP2.21
Rot. Bonds1

About N-(2,3-dihydro-1H-isoindol-5-yl)-2,2,2-trifluoroacetamide;hydrochloride

N-(2,3-dihydro-1H-isoindol-5-yl)-2,2,2-trifluoroacetamide;hydrochloride (PubChem CID 122151334) has the molecular formula C10H10ClF3N2O and a molecular weight of 266.65 g/mol. Its IUPAC name is N-(2,3-dihydro-1H-isoindol-5-yl)-2,2,2-trifluoroacetamide;hydrochloride.

Molecular Properties

Compound NameN-(2,3-dihydro-1H-isoindol-5-yl)-2,2,2-trifluoroacetamide;hydrochloride
PubChem CID122151334
Molecular FormulaC10H10ClF3N2O
Molecular Weight266.65 g/mol
Exact Mass266.04
IUPAC NameN-(2,3-dihydro-1H-isoindol-5-yl)-2,2,2-trifluoroacetamide;hydrochloride
SMILESCl.O=C(Nc1ccc2c(c1)CNC2)C(F)(F)F
InChIInChI=1S/C10H9F3N2O.ClH/c11-10(12,13)9(16)15-8-2-1-6-4-14-5-7(6)3-8;/h1-3,14H,4-5H2,(H,15,16);1H
InChIKeyTZAUCLMNZOKHKN-UHFFFAOYSA-N
XLogP2.21
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.65
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,2,2-Trifluoroacetamido)fluorene
CID 9690
3',4'-Dimethylacetanilide
CID 75144
4-(2-(Propylamino)ethyl)indolin-2-one hydrochloride
CID 23322039
4'-Cyano-3'-(trifluoromethyl)acetanilide
CID 2736741
N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]propanamide
CID 953311
N-(2,3-dihydro-1H-inden-5-yl)-2-pyrrolidin-1-ylacetamide;hydrochloride
CID 16195172
N-(1,2,3,4-tetrahydroisoquinolin-7-yl)acetamide
CID 10775659
Acetamide, N-(2,3-dimethylphenyl)-2,2,2-trifluoro-
CID 139810
Acetamide, N-(4-piperidinophenethyl)-2,2,2-trifluoro-
CID 38067
1-(5-amino-2,3-dihydro-1H-isoindol-2-yl)ethan-1-one
CID 20754722
4'-Ethyl-3'-methylacetanilide
CID 251682
N-[2-(2,3-dihydro-1H-indol-3-yl)ethyl]acetamide
CID 393459

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1H-isoindol-5-yl)-2,2,2-trifluoroacetamide;hydrochloride?
The IUPAC name of N-(2,3-dihydro-1H-isoindol-5-yl)-2,2,2-trifluoroacetamide;hydrochloride (CID 122151334) is N-(2,3-dihydro-1H-isoindol-5-yl)-2,2,2-trifluoroacetamide;hydrochloride.
What is the SMILES notation for N-(2,3-dihydro-1H-isoindol-5-yl)-2,2,2-trifluoroacetamide;hydrochloride?
The canonical SMILES for N-(2,3-dihydro-1H-isoindol-5-yl)-2,2,2-trifluoroacetamide;hydrochloride is Cl.O=C(Nc1ccc2c(c1)CNC2)C(F)(F)F.
What is the InChIKey of N-(2,3-dihydro-1H-isoindol-5-yl)-2,2,2-trifluoroacetamide;hydrochloride?
The InChIKey is TZAUCLMNZOKHKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F3N2O.ClH/c11-10(12,13)9(16)15-8-2-1-6-4-14-5-7(6)3-8;/h1-3,14H,4-5H2,(H,15,16);1H.
What are the key properties of N-(2,3-dihydro-1H-isoindol-5-yl)-2,2,2-trifluoroacetamide;hydrochloride?
N-(2,3-dihydro-1H-isoindol-5-yl)-2,2,2-trifluoroacetamide;hydrochloride has a molecular weight of 266.65 g/mol, XLogP of 2.21, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1H-isoindol-5-yl)-2,2,2-trifluoroacetamide;hydrochloride is sourced from PubChem (CID 122151334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).