3-(2-bicyclo[2.2.1]heptanyl)-5,7-difluoro-1H-indole

C15H15F2N — CID 106985396

IUPAC3-(2-bicyclo[2.2.1]heptanyl)-5,7-difluoro-1H-indole
SMILESFc1cc(F)c2[nH]cc(C3CC4CCC3C4)c2c1
InChIInChI=1S/C15H15F2N/c16-10-5-12-13(7-18-15(12)14(17)6-10)11-4-8-1-2-9(11)3-8/h5-9,11,18H,1-4H2
InChIKeyDVOZDZOMJUQART-UHFFFAOYSA-N
MW247.29 g/mol
LogP4.35
Rot. Bonds1

About 3-(2-bicyclo[2.2.1]heptanyl)-5,7-difluoro-1H-indole

3-(2-bicyclo[2.2.1]heptanyl)-5,7-difluoro-1H-indole (PubChem CID 106985396) has the molecular formula C15H15F2N and a molecular weight of 247.29 g/mol. Its IUPAC name is 3-(2-bicyclo[2.2.1]heptanyl)-5,7-difluoro-1H-indole.

Molecular Properties

Compound Name3-(2-bicyclo[2.2.1]heptanyl)-5,7-difluoro-1H-indole
PubChem CID106985396
Molecular FormulaC15H15F2N
Molecular Weight247.29 g/mol
Exact Mass247.12
IUPAC Name3-(2-bicyclo[2.2.1]heptanyl)-5,7-difluoro-1H-indole
SMILESFc1cc(F)c2[nH]cc(C3CC4CCC3C4)c2c1
InChIInChI=1S/C15H15F2N/c16-10-5-12-13(7-18-15(12)14(17)6-10)11-4-8-1-2-9(11)3-8/h5-9,11,18H,1-4H2
InChIKeyDVOZDZOMJUQART-UHFFFAOYSA-N
XLogP4.35
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.29
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Related Compounds

3-(2-bicyclo[2.2.1]heptanyl)-7-bromo-1H-indole
CID 106985399
7-bromo-3-cyclobutyl-5-fluoro-1H-indole
CID 106985505
5-bromo-3-cyclopropyl-7-fluoro-1H-indole
CID 130050134
2-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]benzene-1,4-diol
CID 11870564
N-[(2R)-2-bicyclo[2.2.2]octanyl]-2-(5,7-difluoro-1H-indol-3-yl)benzo[g]quinazolin-4-amine
CID 134272647
2-(5-fluoro-7-methoxy-1H-indol-3-yl)cyclopentan-1-amine
CID 54011465
6-(2-bicyclo[2.2.2]octanylamino)-2,4-bis(5,7-difluoro-1H-indol-3-yl)-5-fluoropyridine-3-carbonitrile
CID 142295860
6-(5,7-difluoro-1H-indol-3-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;2-methylbicyclo[2.2.2]octane
CID 142287782
2-(5,7-difluoro-1H-indol-3-yl)-N-[(2R,3R)-3-methyl-2-bicyclo[2.2.2]octanyl]-6-(2-methylphenyl)pyrimidin-4-amine
CID 158543654
2-[2-chloro-2-(2,4,6-trifluorophenyl)ethyl]bicyclo[2.2.1]heptane
CID 63430426
3-(2-bicyclo[2.2.1]heptanyl)-1H-pyridin-2-one
CID 19748684
2-[bromo-(2,4,6-trifluorophenyl)methyl]bicyclo[2.2.1]heptane
CID 63438557

Frequently Asked Questions

What is the IUPAC name of 3-(2-bicyclo[2.2.1]heptanyl)-5,7-difluoro-1H-indole?
The IUPAC name of 3-(2-bicyclo[2.2.1]heptanyl)-5,7-difluoro-1H-indole (CID 106985396) is 3-(2-bicyclo[2.2.1]heptanyl)-5,7-difluoro-1H-indole.
What is the SMILES notation for 3-(2-bicyclo[2.2.1]heptanyl)-5,7-difluoro-1H-indole?
The canonical SMILES for 3-(2-bicyclo[2.2.1]heptanyl)-5,7-difluoro-1H-indole is Fc1cc(F)c2[nH]cc(C3CC4CCC3C4)c2c1.
What is the InChIKey of 3-(2-bicyclo[2.2.1]heptanyl)-5,7-difluoro-1H-indole?
The InChIKey is DVOZDZOMJUQART-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F2N/c16-10-5-12-13(7-18-15(12)14(17)6-10)11-4-8-1-2-9(11)3-8/h5-9,11,18H,1-4H2.
What are the key properties of 3-(2-bicyclo[2.2.1]heptanyl)-5,7-difluoro-1H-indole?
3-(2-bicyclo[2.2.1]heptanyl)-5,7-difluoro-1H-indole has a molecular weight of 247.29 g/mol, XLogP of 4.35, 1 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-bicyclo[2.2.1]heptanyl)-5,7-difluoro-1H-indole is sourced from PubChem (CID 106985396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).