6-chloro-1-[(4-chloro-2-fluorophenyl)methyl]indole

C15H10Cl2FN — CID 114859541

IUPAC6-chloro-1-[(4-chloro-2-fluorophenyl)methyl]indole
SMILESFc1cc(Cl)ccc1Cn1ccc2ccc(Cl)cc21
InChIInChI=1S/C15H10Cl2FN/c16-12-4-2-11(14(18)7-12)9-19-6-5-10-1-3-13(17)8-15(10)19/h1-8H,9H2
InChIKeyFVHCLBUUTXXHLM-UHFFFAOYSA-N
MW294.16 g/mol
LogP5.14
Rot. Bonds2

About 6-chloro-1-[(4-chloro-2-fluorophenyl)methyl]indole

6-chloro-1-[(4-chloro-2-fluorophenyl)methyl]indole (PubChem CID 114859541) has the molecular formula C15H10Cl2FN and a molecular weight of 294.16 g/mol. Its IUPAC name is 6-chloro-1-[(4-chloro-2-fluorophenyl)methyl]indole.

Molecular Properties

Compound Name6-chloro-1-[(4-chloro-2-fluorophenyl)methyl]indole
PubChem CID114859541
Molecular FormulaC15H10Cl2FN
Molecular Weight294.16 g/mol
Exact Mass293.02
IUPAC Name6-chloro-1-[(4-chloro-2-fluorophenyl)methyl]indole
SMILESFc1cc(Cl)ccc1Cn1ccc2ccc(Cl)cc21
InChIInChI=1S/C15H10Cl2FN/c16-12-4-2-11(14(18)7-12)9-19-6-5-10-1-3-13(17)8-15(10)19/h1-8H,9H2
InChIKeyFVHCLBUUTXXHLM-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

6-chloro-1-[(3,4-difluorophenyl)methyl]indole
CID 116620611
6-chloro-1-[(3-chloro-4-fluorophenyl)methyl]indole
CID 103041483
1-[(4-chloro-2-fluorophenyl)methyl]indole-5-carbaldehyde
CID 102910413
1-[(4-chloro-2-fluorophenyl)methyl]-4-fluoroindole
CID 114859510
1-[(5-chloro-2-fluorophenyl)methyl]indole-6-carbaldehyde
CID 103047362
[1-[(5-chloro-2-fluorophenyl)methyl]indol-6-yl]methanol
CID 103047381
1-[(3-bromo-4-fluorophenyl)methyl]-6-chloroindole
CID 116620438
1-[(5-chloro-2-fluorophenyl)methyl]indole-6-carboxylic acid
CID 103047013
1-[(4-bromo-2-fluorophenyl)methyl]indol-6-amine
CID 43438690
6-chloro-1-[(2-methoxy-5-methylphenyl)methyl]indole
CID 116620555
[1-[(4-chloro-2-fluorophenyl)methyl]indol-4-yl]methanamine
CID 114851516
2-[(6-chloroindol-1-yl)methyl]benzoic acid
CID 43473250

Frequently Asked Questions

What is the IUPAC name of 6-chloro-1-[(4-chloro-2-fluorophenyl)methyl]indole?
The IUPAC name of 6-chloro-1-[(4-chloro-2-fluorophenyl)methyl]indole (CID 114859541) is 6-chloro-1-[(4-chloro-2-fluorophenyl)methyl]indole.
What is the SMILES notation for 6-chloro-1-[(4-chloro-2-fluorophenyl)methyl]indole?
The canonical SMILES for 6-chloro-1-[(4-chloro-2-fluorophenyl)methyl]indole is Fc1cc(Cl)ccc1Cn1ccc2ccc(Cl)cc21.
What is the InChIKey of 6-chloro-1-[(4-chloro-2-fluorophenyl)methyl]indole?
The InChIKey is FVHCLBUUTXXHLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10Cl2FN/c16-12-4-2-11(14(18)7-12)9-19-6-5-10-1-3-13(17)8-15(10)19/h1-8H,9H2.
What are the key properties of 6-chloro-1-[(4-chloro-2-fluorophenyl)methyl]indole?
6-chloro-1-[(4-chloro-2-fluorophenyl)methyl]indole 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 6-chloro-1-[(4-chloro-2-fluorophenyl)methyl]indole is sourced from PubChem (CID 114859541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).