1-(2-chloro-4-fluorophenyl)indole

C14H9ClFN — CID 139914970

IUPAC1-(2-chloro-4-fluorophenyl)indole
SMILESFc1ccc(-n2ccc3ccccc32)c(Cl)c1
InChIInChI=1S/C14H9ClFN/c15-12-9-11(16)5-6-14(12)17-8-7-10-3-1-2-4-13(10)17/h1-9H
InChIKeyXYKHZOYUSOYTML-UHFFFAOYSA-N
MW245.68 g/mol
LogP4.42
Rot. Bonds1

About 1-(2-chloro-4-fluorophenyl)indole

1-(2-chloro-4-fluorophenyl)indole (PubChem CID 139914970) has the molecular formula C14H9ClFN and a molecular weight of 245.68 g/mol. Its IUPAC name is 1-(2-chloro-4-fluorophenyl)indole.

Molecular Properties

Compound Name1-(2-chloro-4-fluorophenyl)indole
PubChem CID139914970
Molecular FormulaC14H9ClFN
Molecular Weight245.68 g/mol
Exact Mass245.04
IUPAC Name1-(2-chloro-4-fluorophenyl)indole
SMILESFc1ccc(-n2ccc3ccccc32)c(Cl)c1
InChIInChI=1S/C14H9ClFN/c15-12-9-11(16)5-6-14(12)17-8-7-10-3-1-2-4-13(10)17/h1-9H
InChIKeyXYKHZOYUSOYTML-UHFFFAOYSA-N
XLogP4.42
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.68
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-4-fluorophenyl)indole?
The IUPAC name of 1-(2-chloro-4-fluorophenyl)indole (CID 139914970) is 1-(2-chloro-4-fluorophenyl)indole.
What is the SMILES notation for 1-(2-chloro-4-fluorophenyl)indole?
The canonical SMILES for 1-(2-chloro-4-fluorophenyl)indole is Fc1ccc(-n2ccc3ccccc32)c(Cl)c1.
What is the InChIKey of 1-(2-chloro-4-fluorophenyl)indole?
The InChIKey is XYKHZOYUSOYTML-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClFN/c15-12-9-11(16)5-6-14(12)17-8-7-10-3-1-2-4-13(10)17/h1-9H.
What are the key properties of 1-(2-chloro-4-fluorophenyl)indole?
1-(2-chloro-4-fluorophenyl)indole has a molecular weight of 245.68 g/mol, XLogP of 4.42, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-4-fluorophenyl)indole is sourced from PubChem (CID 139914970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).