(3,4-difluorophenyl)-(2,3-dihydro-1H-indol-6-yl)methanone

C15H11F2NO — CID 116611865

IUPAC(3,4-difluorophenyl)-(2,3-dihydro-1H-indol-6-yl)methanone
SMILESO=C(c1ccc(F)c(F)c1)c1ccc2c(c1)NCC2
InChIInChI=1S/C15H11F2NO/c16-12-4-3-10(7-13(12)17)15(19)11-2-1-9-5-6-18-14(9)8-11/h1-4,7-8,18H,5-6H2
InChIKeyACWXSSUFUIIYBY-UHFFFAOYSA-N
MW259.26 g/mol
LogP3.16
Rot. Bonds2

About (3,4-difluorophenyl)-(2,3-dihydro-1H-indol-6-yl)methanone

(3,4-difluorophenyl)-(2,3-dihydro-1H-indol-6-yl)methanone (PubChem CID 116611865) has the molecular formula C15H11F2NO and a molecular weight of 259.26 g/mol. Its IUPAC name is (3,4-difluorophenyl)-(2,3-dihydro-1H-indol-6-yl)methanone.

Molecular Properties

Compound Name(3,4-difluorophenyl)-(2,3-dihydro-1H-indol-6-yl)methanone
PubChem CID116611865
Molecular FormulaC15H11F2NO
Molecular Weight259.26 g/mol
Exact Mass259.08
IUPAC Name(3,4-difluorophenyl)-(2,3-dihydro-1H-indol-6-yl)methanone
SMILESO=C(c1ccc(F)c(F)c1)c1ccc2c(c1)NCC2
InChIInChI=1S/C15H11F2NO/c16-12-4-3-10(7-13(12)17)15(19)11-2-1-9-5-6-18-14(9)8-11/h1-4,7-8,18H,5-6H2
InChIKeyACWXSSUFUIIYBY-UHFFFAOYSA-N
XLogP3.16
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.26
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(5-chloro-2-fluorophenyl)-1-(2,3-dihydro-1H-indol-6-yl)ethanone
CID 103052472
2,3-dihydro-1H-indol-6-yl-(2,4,5-trimethylphenyl)methanone
CID 116611875
3,4-difluoro-N-(1,2,3,4-tetrahydroquinolin-7-yl)benzamide
CID 63928507
2-(3-bromo-2,6-difluorophenyl)-1-(2,3-dihydro-1H-indol-6-yl)ethanone
CID 106272804
2,3-dihydro-1H-indol-6-yl-(4-propoxyphenyl)methanone
CID 116611963
2,3-dihydro-1H-indol-6-yl-(6-fluoro-2,3-dihydroindol-1-yl)methanone
CID 103495318
2,3-dihydro-1H-indol-5-yl-(2,3,4-trifluorophenyl)methanone
CID 116554224
2-(3,5-difluorophenyl)-1-(2,3-dihydro-1H-indol-6-yl)ethanone
CID 105412085
1-(2,3-dihydro-1H-indol-6-yl)-4,4,4-trifluorobutan-1-one
CID 116612061
N-(2-bromo-6-fluorophenyl)-2,3-dihydro-1H-indole-6-carboxamide
CID 107600018
1-(2,3-dihydro-1H-indol-6-yl)-5,5,5-trifluoropentan-1-one
CID 116612013
2-(2-bromo-4-fluorophenyl)-1-(2,3-dihydro-1H-indol-6-yl)ethanone
CID 116611894

Frequently Asked Questions

What is the IUPAC name of (3,4-difluorophenyl)-(2,3-dihydro-1H-indol-6-yl)methanone?
The IUPAC name of (3,4-difluorophenyl)-(2,3-dihydro-1H-indol-6-yl)methanone (CID 116611865) is (3,4-difluorophenyl)-(2,3-dihydro-1H-indol-6-yl)methanone.
What is the SMILES notation for (3,4-difluorophenyl)-(2,3-dihydro-1H-indol-6-yl)methanone?
The canonical SMILES for (3,4-difluorophenyl)-(2,3-dihydro-1H-indol-6-yl)methanone is O=C(c1ccc(F)c(F)c1)c1ccc2c(c1)NCC2.
What is the InChIKey of (3,4-difluorophenyl)-(2,3-dihydro-1H-indol-6-yl)methanone?
The InChIKey is ACWXSSUFUIIYBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F2NO/c16-12-4-3-10(7-13(12)17)15(19)11-2-1-9-5-6-18-14(9)8-11/h1-4,7-8,18H,5-6H2.
What are the key properties of (3,4-difluorophenyl)-(2,3-dihydro-1H-indol-6-yl)methanone?
(3,4-difluorophenyl)-(2,3-dihydro-1H-indol-6-yl)methanone has a molecular weight of 259.26 g/mol, XLogP of 3.16, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-difluorophenyl)-(2,3-dihydro-1H-indol-6-yl)methanone is sourced from PubChem (CID 116611865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).