6-chloro-2-(3,4-difluorophenyl)-7-methyl-2,3-dihydro-1H-indole

C15H12ClF2N — CID 4666905

IUPAC6-chloro-2-(3,4-difluorophenyl)-7-methyl-2,3-dihydro-1H-indole
SMILESCc1c(Cl)ccc2c1NC(c1ccc(F)c(F)c1)C2
InChIInChI=1S/C15H12ClF2N/c1-8-11(16)4-2-10-7-14(19-15(8)10)9-3-5-12(17)13(18)6-9/h2-6,14,19H,7H2,1H3
InChIKeyOTYCAHKGBOYNGB-UHFFFAOYSA-N
MW279.72 g/mol
LogP4.64
Rot. Bonds1

About 6-chloro-2-(3,4-difluorophenyl)-7-methyl-2,3-dihydro-1H-indole

6-chloro-2-(3,4-difluorophenyl)-7-methyl-2,3-dihydro-1H-indole (PubChem CID 4666905) has the molecular formula C15H12ClF2N and a molecular weight of 279.72 g/mol. Its IUPAC name is 6-chloro-2-(3,4-difluorophenyl)-7-methyl-2,3-dihydro-1H-indole.

Molecular Properties

Compound Name6-chloro-2-(3,4-difluorophenyl)-7-methyl-2,3-dihydro-1H-indole
PubChem CID4666905
Molecular FormulaC15H12ClF2N
Molecular Weight279.72 g/mol
Exact Mass279.06
IUPAC Name6-chloro-2-(3,4-difluorophenyl)-7-methyl-2,3-dihydro-1H-indole
SMILESCc1c(Cl)ccc2c1NC(c1ccc(F)c(F)c1)C2
InChIInChI=1S/C15H12ClF2N/c1-8-11(16)4-2-10-7-14(19-15(8)10)9-3-5-12(17)13(18)6-9/h2-6,14,19H,7H2,1H3
InChIKeyOTYCAHKGBOYNGB-UHFFFAOYSA-N
XLogP4.64
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.72
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-(3,4-difluorophenyl)-7-methyl-2,3-dihydro-1H-indole?
The IUPAC name of 6-chloro-2-(3,4-difluorophenyl)-7-methyl-2,3-dihydro-1H-indole (CID 4666905) is 6-chloro-2-(3,4-difluorophenyl)-7-methyl-2,3-dihydro-1H-indole.
What is the SMILES notation for 6-chloro-2-(3,4-difluorophenyl)-7-methyl-2,3-dihydro-1H-indole?
The canonical SMILES for 6-chloro-2-(3,4-difluorophenyl)-7-methyl-2,3-dihydro-1H-indole is Cc1c(Cl)ccc2c1NC(c1ccc(F)c(F)c1)C2.
What is the InChIKey of 6-chloro-2-(3,4-difluorophenyl)-7-methyl-2,3-dihydro-1H-indole?
The InChIKey is OTYCAHKGBOYNGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClF2N/c1-8-11(16)4-2-10-7-14(19-15(8)10)9-3-5-12(17)13(18)6-9/h2-6,14,19H,7H2,1H3.
What are the key properties of 6-chloro-2-(3,4-difluorophenyl)-7-methyl-2,3-dihydro-1H-indole?
6-chloro-2-(3,4-difluorophenyl)-7-methyl-2,3-dihydro-1H-indole has a molecular weight of 279.72 g/mol, XLogP of 4.64, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-(3,4-difluorophenyl)-7-methyl-2,3-dihydro-1H-indole is sourced from PubChem (CID 4666905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).