ethane;2,2,2-trifluoroethanamine;2-(2,2,2-trifluoroethyl)isoindole-1,3-dione

C14H16F6N2O2 — CID 164901575

IUPACethane;2,2,2-trifluoroethanamine;2-(2,2,2-trifluoroethyl)isoindole-1,3-dione
SMILESCC.NCC(F)(F)F.O=C1c2ccccc2C(=O)N1CC(F)(F)F
InChIInChI=1S/C10H6F3NO2.C2H4F3N.C2H6/c11-10(12,13)5-14-8(15)6-3-1-2-4-7(6)9(14)16;3-2(4,5)1-6;1-2/h1-4H,5H2;1,6H2;1-2H3
InChIKeyZFLRKKHSLRZSBP-UHFFFAOYSA-N
MW358.28 g/mol
LogP3.38
Rot. Bonds1

About ethane;2,2,2-trifluoroethanamine;2-(2,2,2-trifluoroethyl)isoindole-1,3-dione

ethane;2,2,2-trifluoroethanamine;2-(2,2,2-trifluoroethyl)isoindole-1,3-dione (PubChem CID 164901575) has the molecular formula C14H16F6N2O2 and a molecular weight of 358.28 g/mol. Its IUPAC name is ethane;2,2,2-trifluoroethanamine;2-(2,2,2-trifluoroethyl)isoindole-1,3-dione.

Molecular Properties

Compound Nameethane;2,2,2-trifluoroethanamine;2-(2,2,2-trifluoroethyl)isoindole-1,3-dione
PubChem CID164901575
Molecular FormulaC14H16F6N2O2
Molecular Weight358.28 g/mol
Exact Mass358.11
IUPAC Nameethane;2,2,2-trifluoroethanamine;2-(2,2,2-trifluoroethyl)isoindole-1,3-dione
SMILESCC.NCC(F)(F)F.O=C1c2ccccc2C(=O)N1CC(F)(F)F
InChIInChI=1S/C10H6F3NO2.C2H4F3N.C2H6/c11-10(12,13)5-14-8(15)6-3-1-2-4-7(6)9(14)16;3-2(4,5)1-6;1-2/h1-4H,5H2;1,6H2;1-2H3
InChIKeyZFLRKKHSLRZSBP-UHFFFAOYSA-N
XLogP3.38
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.28
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(4,4,4-trifluoro-2-hydroxy-2-methylbutyl)isoindole-1,3-dione
CID 164683727
5-methyl-2-(2,2,2-trifluoroethyl)isoindole-1,3-dione
CID 142829685
2-(3,3,3-trifluoro-2-hydroxy-2-methylpropyl)isoindole-1,3-dione
CID 67383644
2-(3-amino-2,2-difluoropropyl)-3-methylideneisoindol-1-one
CID 114384578
2-(2-hydroxy-2-methylpropyl)isoindole-1,3-dione
CID 15205735
2-[3,3,3-trifluoro-2-phenyl-2-(trifluoromethyl)propyl]isoindole-1,3-dione
CID 87759453
5-iodo-2-(2,2,2-trifluoroethyl)isoindole-1,3-dione
CID 79785414
(3E)-3-[(E)-3-phenylprop-2-enylidene]-2-(2,2,2-trifluoroethyl)isoindol-1-one
CID 139470098
2-(2-diethoxyphosphoryl-2,2-difluoroethyl)isoindole-1,3-dione
CID 86606190
2-(4-amino-2,3-dimethylbut-2-enyl)isoindole-1,3-dione
CID 138523801
2-(trimethylstannylmethyl)isoindole-1,3-dione
CID 10426383
2-(2-aminoethyl)isoindole-1,3-dione;hydrochloride
CID 22063849

Frequently Asked Questions

What is the IUPAC name of ethane;2,2,2-trifluoroethanamine;2-(2,2,2-trifluoroethyl)isoindole-1,3-dione?
The IUPAC name of ethane;2,2,2-trifluoroethanamine;2-(2,2,2-trifluoroethyl)isoindole-1,3-dione (CID 164901575) is ethane;2,2,2-trifluoroethanamine;2-(2,2,2-trifluoroethyl)isoindole-1,3-dione.
What is the SMILES notation for ethane;2,2,2-trifluoroethanamine;2-(2,2,2-trifluoroethyl)isoindole-1,3-dione?
The canonical SMILES for ethane;2,2,2-trifluoroethanamine;2-(2,2,2-trifluoroethyl)isoindole-1,3-dione is CC.NCC(F)(F)F.O=C1c2ccccc2C(=O)N1CC(F)(F)F.
What is the InChIKey of ethane;2,2,2-trifluoroethanamine;2-(2,2,2-trifluoroethyl)isoindole-1,3-dione?
The InChIKey is ZFLRKKHSLRZSBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6F3NO2.C2H4F3N.C2H6/c11-10(12,13)5-14-8(15)6-3-1-2-4-7(6)9(14)16;3-2(4,5)1-6;1-2/h1-4H,5H2;1,6H2;1-2H3.
What are the key properties of ethane;2,2,2-trifluoroethanamine;2-(2,2,2-trifluoroethyl)isoindole-1,3-dione?
ethane;2,2,2-trifluoroethanamine;2-(2,2,2-trifluoroethyl)isoindole-1,3-dione has a molecular weight of 358.28 g/mol, XLogP of 3.38, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2,2,2-trifluoroethanamine;2-(2,2,2-trifluoroethyl)isoindole-1,3-dione is sourced from PubChem (CID 164901575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).