4,6-dichloro-1-[(2,3-difluorophenyl)methyl]indole

C15H9Cl2F2N — CID 103428267

IUPAC4,6-dichloro-1-[(2,3-difluorophenyl)methyl]indole
SMILESFc1cccc(Cn2ccc3c(Cl)cc(Cl)cc32)c1F
InChIInChI=1S/C15H9Cl2F2N/c16-10-6-12(17)11-4-5-20(14(11)7-10)8-9-2-1-3-13(18)15(9)19/h1-7H,8H2
InChIKeyDWXORNPROYSFMJ-UHFFFAOYSA-N
MW312.15 g/mol
LogP5.27
Rot. Bonds2

About 4,6-dichloro-1-[(2,3-difluorophenyl)methyl]indole

4,6-dichloro-1-[(2,3-difluorophenyl)methyl]indole (PubChem CID 103428267) has the molecular formula C15H9Cl2F2N and a molecular weight of 312.15 g/mol. Its IUPAC name is 4,6-dichloro-1-[(2,3-difluorophenyl)methyl]indole.

Molecular Properties

Compound Name4,6-dichloro-1-[(2,3-difluorophenyl)methyl]indole
PubChem CID103428267
Molecular FormulaC15H9Cl2F2N
Molecular Weight312.15 g/mol
Exact Mass311.01
IUPAC Name4,6-dichloro-1-[(2,3-difluorophenyl)methyl]indole
SMILESFc1cccc(Cn2ccc3c(Cl)cc(Cl)cc32)c1F
InChIInChI=1S/C15H9Cl2F2N/c16-10-6-12(17)11-4-5-20(14(11)7-10)8-9-2-1-3-13(18)15(9)19/h1-7H,8H2
InChIKeyDWXORNPROYSFMJ-UHFFFAOYSA-N
XLogP5.27
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.15
LogP ≤ 55.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4,6-dichloro-1-[(2,6-dichlorophenyl)methyl]indole
CID 103428456
4-chloro-1-[(2-chloro-3-fluorophenyl)methyl]indole
CID 116623871
4,6-dichloro-1-[(4-iodophenyl)methyl]indole
CID 103428355
4-chloro-1-[(2,5-difluorophenyl)methyl]indole
CID 116623695
1-[(4-chloro-2-fluorophenyl)methyl]-4-fluoroindole
CID 114859510
2-(4,6-dichloroindol-1-yl)-1-(2-fluorophenyl)ethanone
CID 103427998
4,6-dichloro-1-[(4-ethylphenyl)methyl]indole
CID 103428167
[1-[(4-chloro-2-fluorophenyl)methyl]indol-4-yl]methanamine
CID 114851516
4,6-dichloro-1-[(3-fluoro-4-methoxyphenyl)methyl]indole
CID 103428306
N-[2-(4,6-dichloroindol-1-yl)ethyl]aniline
CID 103428075
4-chloro-1-[(2,4-difluorophenyl)methyl]indole
CID 116623841
4,6-dichloro-1-(2-methylsulfanylethyl)indole
CID 103428339

Frequently Asked Questions

What is the IUPAC name of 4,6-dichloro-1-[(2,3-difluorophenyl)methyl]indole?
The IUPAC name of 4,6-dichloro-1-[(2,3-difluorophenyl)methyl]indole (CID 103428267) is 4,6-dichloro-1-[(2,3-difluorophenyl)methyl]indole.
What is the SMILES notation for 4,6-dichloro-1-[(2,3-difluorophenyl)methyl]indole?
The canonical SMILES for 4,6-dichloro-1-[(2,3-difluorophenyl)methyl]indole is Fc1cccc(Cn2ccc3c(Cl)cc(Cl)cc32)c1F.
What is the InChIKey of 4,6-dichloro-1-[(2,3-difluorophenyl)methyl]indole?
The InChIKey is DWXORNPROYSFMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9Cl2F2N/c16-10-6-12(17)11-4-5-20(14(11)7-10)8-9-2-1-3-13(18)15(9)19/h1-7H,8H2.
What are the key properties of 4,6-dichloro-1-[(2,3-difluorophenyl)methyl]indole?
4,6-dichloro-1-[(2,3-difluorophenyl)methyl]indole has a molecular weight of 312.15 g/mol, XLogP of 5.27, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dichloro-1-[(2,3-difluorophenyl)methyl]indole is sourced from PubChem (CID 103428267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).