6-chloro-5-[1-(ethylamino)-2,2,3,3-tetrafluoropropyl]-1,3-dihydroindol-2-one

C13H13ClF4N2O — CID 79648069

IUPAC6-chloro-5-[1-(ethylamino)-2,2,3,3-tetrafluoropropyl]-1,3-dihydroindol-2-one
SMILESCCNC(c1cc2c(cc1Cl)NC(=O)C2)C(F)(F)C(F)F
InChIInChI=1S/C13H13ClF4N2O/c1-2-19-11(13(17,18)12(15)16)7-3-6-4-10(21)20-9(6)5-8(7)14/h3,5,11-12,19H,2,4H2,1H3,(H,20,21)
InChIKeyYFUJWVOFOPFSCQ-UHFFFAOYSA-N
MW324.71 g/mol
LogP3.39
Rot. Bonds5

About 6-chloro-5-[1-(ethylamino)-2,2,3,3-tetrafluoropropyl]-1,3-dihydroindol-2-one

6-chloro-5-[1-(ethylamino)-2,2,3,3-tetrafluoropropyl]-1,3-dihydroindol-2-one (PubChem CID 79648069) has the molecular formula C13H13ClF4N2O and a molecular weight of 324.71 g/mol. Its IUPAC name is 6-chloro-5-[1-(ethylamino)-2,2,3,3-tetrafluoropropyl]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name6-chloro-5-[1-(ethylamino)-2,2,3,3-tetrafluoropropyl]-1,3-dihydroindol-2-one
PubChem CID79648069
Molecular FormulaC13H13ClF4N2O
Molecular Weight324.71 g/mol
Exact Mass324.07
IUPAC Name6-chloro-5-[1-(ethylamino)-2,2,3,3-tetrafluoropropyl]-1,3-dihydroindol-2-one
SMILESCCNC(c1cc2c(cc1Cl)NC(=O)C2)C(F)(F)C(F)F
InChIInChI=1S/C13H13ClF4N2O/c1-2-19-11(13(17,18)12(15)16)7-3-6-4-10(21)20-9(6)5-8(7)14/h3,5,11-12,19H,2,4H2,1H3,(H,20,21)
InChIKeyYFUJWVOFOPFSCQ-UHFFFAOYSA-N
XLogP3.39
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.71
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 6-chloro-5-[1-(ethylamino)-2,2,3,3-tetrafluoropropyl]-1,3-dihydroindol-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-chloro-5-[1-(ethylamino)pentyl]-1,3-dihydroindol-2-one
CID 43493705
6-chloro-5-[ethylamino(oxolan-2-yl)methyl]-1,3-dihydroindol-2-one
CID 43493722
6-chloro-5-[ethylamino-(4-methylthiophen-3-yl)methyl]-1,3-dihydroindol-2-one
CID 79810168
6-chloro-5-[ethylamino(oxan-3-yl)methyl]-1,3-dihydroindol-2-one
CID 63012879
6-chloro-5-(3,3,3-trifluoro-1-hydroxypropyl)-1,3-dihydroindol-2-one
CID 61082063
5-[(1S)-1-aminoethyl]-6-chloro-1,3-dihydroindol-2-one
CID 82758304
6-chloro-5-(1-chloro-3-methylbutyl)-1,3-dihydroindol-2-one
CID 61083849
5-[2,2,3,3-tetrafluoro-1-(methylamino)propyl]-1,3-dihydroindol-2-one
CID 79660978
6-chloro-5-(1-chlorohexyl)-1,3-dihydroindol-2-one
CID 61083654
6-chloro-5-[1-(methylamino)hexyl]-1,3-dihydroindol-2-one
CID 43487561
6-chloro-5-(1-hydroxy-2-methylpropyl)-1,3-dihydroindol-2-one
CID 61081464
6-chloro-5-(1-chloro-3,5,5-trimethylhexyl)-1,3-dihydroindol-2-one
CID 63434327

Frequently Asked Questions

What is the IUPAC name of 6-chloro-5-[1-(ethylamino)-2,2,3,3-tetrafluoropropyl]-1,3-dihydroindol-2-one?
The IUPAC name of 6-chloro-5-[1-(ethylamino)-2,2,3,3-tetrafluoropropyl]-1,3-dihydroindol-2-one (CID 79648069) is 6-chloro-5-[1-(ethylamino)-2,2,3,3-tetrafluoropropyl]-1,3-dihydroindol-2-one.
What is the SMILES notation for 6-chloro-5-[1-(ethylamino)-2,2,3,3-tetrafluoropropyl]-1,3-dihydroindol-2-one?
The canonical SMILES for 6-chloro-5-[1-(ethylamino)-2,2,3,3-tetrafluoropropyl]-1,3-dihydroindol-2-one is CCNC(c1cc2c(cc1Cl)NC(=O)C2)C(F)(F)C(F)F.
What is the InChIKey of 6-chloro-5-[1-(ethylamino)-2,2,3,3-tetrafluoropropyl]-1,3-dihydroindol-2-one?
The InChIKey is YFUJWVOFOPFSCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClF4N2O/c1-2-19-11(13(17,18)12(15)16)7-3-6-4-10(21)20-9(6)5-8(7)14/h3,5,11-12,19H,2,4H2,1H3,(H,20,21).
What are the key properties of 6-chloro-5-[1-(ethylamino)-2,2,3,3-tetrafluoropropyl]-1,3-dihydroindol-2-one?
6-chloro-5-[1-(ethylamino)-2,2,3,3-tetrafluoropropyl]-1,3-dihydroindol-2-one has a molecular weight of 324.71 g/mol, XLogP of 3.39, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-5-[1-(ethylamino)-2,2,3,3-tetrafluoropropyl]-1,3-dihydroindol-2-one is sourced from PubChem (CID 79648069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).