1-[(2,6-dichlorophenyl)methyl]-4-fluoroindole

C15H10Cl2FN — CID 82795364

IUPAC1-[(2,6-dichlorophenyl)methyl]-4-fluoroindole
SMILESFc1cccc2c1ccn2Cc1c(Cl)cccc1Cl
InChIInChI=1S/C15H10Cl2FN/c16-12-3-1-4-13(17)11(12)9-19-8-7-10-14(18)5-2-6-15(10)19/h1-8H,9H2
InChIKeyYKTMIXIZBCFRCC-UHFFFAOYSA-N
MW294.16 g/mol
LogP5.14
Rot. Bonds2

About 1-[(2,6-dichlorophenyl)methyl]-4-fluoroindole

1-[(2,6-dichlorophenyl)methyl]-4-fluoroindole (PubChem CID 82795364) has the molecular formula C15H10Cl2FN and a molecular weight of 294.16 g/mol. Its IUPAC name is 1-[(2,6-dichlorophenyl)methyl]-4-fluoroindole.

Molecular Properties

Compound Name1-[(2,6-dichlorophenyl)methyl]-4-fluoroindole
PubChem CID82795364
Molecular FormulaC15H10Cl2FN
Molecular Weight294.16 g/mol
Exact Mass293.02
IUPAC Name1-[(2,6-dichlorophenyl)methyl]-4-fluoroindole
SMILESFc1cccc2c1ccn2Cc1c(Cl)cccc1Cl
InChIInChI=1S/C15H10Cl2FN/c16-12-3-1-4-13(17)11(12)9-19-8-7-10-14(18)5-2-6-15(10)19/h1-8H,9H2
InChIKeyYKTMIXIZBCFRCC-UHFFFAOYSA-N
XLogP5.14
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500294.16
LogP ≤ 55.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-[(4-chloro-2-fluorophenyl)methyl]-4-fluoroindole
CID 114859510
4-chloro-1-[(2-chloro-3-fluorophenyl)methyl]indole
CID 116623871
1-[(4-ethylphenyl)methyl]-4-fluoroindole
CID 82792470
1-[(4-bromophenyl)methyl]-4-fluoroindole
CID 82793563
4-chloro-1-[(2,4-difluorophenyl)methyl]indole
CID 116623841
4,6-dichloro-1-[(2,6-dichlorophenyl)methyl]indole
CID 103428456
4-chloro-1-[(2,5-difluorophenyl)methyl]indole
CID 116623695
4-chloro-1-[(2-chloro-5-fluorophenyl)methyl]indole
CID 102620303
N-[[1-[(2,6-dichlorophenyl)methyl]indol-3-yl]methyl]-2-(2-fluorophenyl)ethanamine
CID 124783457
4-fluoro-1-[(5-fluoro-3-pyridinyl)methyl]indole
CID 114084739
2-[(4-fluoroindol-1-yl)methyl]quinoline
CID 82782071
4-fluoro-1-[(1-propan-2-ylpyrazol-3-yl)methyl]indole
CID 82792719

Frequently Asked Questions

What is the IUPAC name of 1-[(2,6-dichlorophenyl)methyl]-4-fluoroindole?
The IUPAC name of 1-[(2,6-dichlorophenyl)methyl]-4-fluoroindole (CID 82795364) is 1-[(2,6-dichlorophenyl)methyl]-4-fluoroindole.
What is the SMILES notation for 1-[(2,6-dichlorophenyl)methyl]-4-fluoroindole?
The canonical SMILES for 1-[(2,6-dichlorophenyl)methyl]-4-fluoroindole is Fc1cccc2c1ccn2Cc1c(Cl)cccc1Cl.
What is the InChIKey of 1-[(2,6-dichlorophenyl)methyl]-4-fluoroindole?
The InChIKey is YKTMIXIZBCFRCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10Cl2FN/c16-12-3-1-4-13(17)11(12)9-19-8-7-10-14(18)5-2-6-15(10)19/h1-8H,9H2.
What are the key properties of 1-[(2,6-dichlorophenyl)methyl]-4-fluoroindole?
1-[(2,6-dichlorophenyl)methyl]-4-fluoroindole has a molecular weight of 294.16 g/mol, XLogP of 5.14, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,6-dichlorophenyl)methyl]-4-fluoroindole is sourced from PubChem (CID 82795364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).