2,3-dihydroindol-1-yl-(2,3,4,5,6-pentafluorophenyl)methanone

C15H8F5NO — CID 2167058

IUPAC2,3-dihydroindol-1-yl-(2,3,4,5,6-pentafluorophenyl)methanone
SMILESO=C(c1c(F)c(F)c(F)c(F)c1F)N1CCc2ccccc21
InChIInChI=1S/C15H8F5NO/c16-10-9(11(17)13(19)14(20)12(10)18)15(22)21-6-5-7-3-1-2-4-8(7)21/h1-4H,5-6H2
InChIKeyIFBONPGCXOARNV-UHFFFAOYSA-N
MW313.23 g/mol
LogP3.59
Rot. Bonds1

About 2,3-dihydroindol-1-yl-(2,3,4,5,6-pentafluorophenyl)methanone

2,3-dihydroindol-1-yl-(2,3,4,5,6-pentafluorophenyl)methanone (PubChem CID 2167058) has the molecular formula C15H8F5NO and a molecular weight of 313.23 g/mol. Its IUPAC name is 2,3-dihydroindol-1-yl-(2,3,4,5,6-pentafluorophenyl)methanone.

Molecular Properties

Compound Name2,3-dihydroindol-1-yl-(2,3,4,5,6-pentafluorophenyl)methanone
PubChem CID2167058
Molecular FormulaC15H8F5NO
Molecular Weight313.23 g/mol
Exact Mass313.05
IUPAC Name2,3-dihydroindol-1-yl-(2,3,4,5,6-pentafluorophenyl)methanone
SMILESO=C(c1c(F)c(F)c(F)c(F)c1F)N1CCc2ccccc21
InChIInChI=1S/C15H8F5NO/c16-10-9(11(17)13(19)14(20)12(10)18)15(22)21-6-5-7-3-1-2-4-8(7)21/h1-4H,5-6H2
InChIKeyIFBONPGCXOARNV-UHFFFAOYSA-N
XLogP3.59
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.23
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

CID 3194
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CID 94776
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CID 97035
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CID 264734
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CID 9905583
CID 9905583
CID 66135
CID 66135
CID 1894707
CID 1894707
CID 1551501
CID 1551501
CID 2057118
CID 2057118
CID 3067590
CID 3067590
CID 1713563
CID 1713563

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydroindol-1-yl-(2,3,4,5,6-pentafluorophenyl)methanone?
The IUPAC name of 2,3-dihydroindol-1-yl-(2,3,4,5,6-pentafluorophenyl)methanone (CID 2167058) is 2,3-dihydroindol-1-yl-(2,3,4,5,6-pentafluorophenyl)methanone.
What is the SMILES notation for 2,3-dihydroindol-1-yl-(2,3,4,5,6-pentafluorophenyl)methanone?
The canonical SMILES for 2,3-dihydroindol-1-yl-(2,3,4,5,6-pentafluorophenyl)methanone is O=C(c1c(F)c(F)c(F)c(F)c1F)N1CCc2ccccc21.
What is the InChIKey of 2,3-dihydroindol-1-yl-(2,3,4,5,6-pentafluorophenyl)methanone?
The InChIKey is IFBONPGCXOARNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8F5NO/c16-10-9(11(17)13(19)14(20)12(10)18)15(22)21-6-5-7-3-1-2-4-8(7)21/h1-4H,5-6H2.
What are the key properties of 2,3-dihydroindol-1-yl-(2,3,4,5,6-pentafluorophenyl)methanone?
2,3-dihydroindol-1-yl-(2,3,4,5,6-pentafluorophenyl)methanone has a molecular weight of 313.23 g/mol, XLogP of 3.59, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydroindol-1-yl-(2,3,4,5,6-pentafluorophenyl)methanone is sourced from PubChem (CID 2167058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).