1-chloro-4-fluoroindole

C8H5ClFN — CID 151831480

IUPAC1-chloro-4-fluoroindole
SMILESFc1cccc2c1ccn2Cl
InChIInChI=1S/C8H5ClFN/c9-11-5-4-6-7(10)2-1-3-8(6)11/h1-5H
InChIKeySETGSGOCAJHQIU-UHFFFAOYSA-N
MW169.59 g/mol
LogP2.78
Rot. Bonds

About 1-chloro-4-fluoroindole

1-chloro-4-fluoroindole (PubChem CID 151831480) has the molecular formula C8H5ClFN and a molecular weight of 169.59 g/mol. Its IUPAC name is 1-chloro-4-fluoroindole.

Molecular Properties

Compound Name1-chloro-4-fluoroindole
PubChem CID151831480
Molecular FormulaC8H5ClFN
Molecular Weight169.59 g/mol
Exact Mass169.01
IUPAC Name1-chloro-4-fluoroindole
SMILESFc1cccc2c1ccn2Cl
InChIInChI=1S/C8H5ClFN/c9-11-5-4-6-7(10)2-1-3-8(6)11/h1-5H
InChIKeySETGSGOCAJHQIU-UHFFFAOYSA-N
XLogP2.78
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.59
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-fluoroindole?
The IUPAC name of 1-chloro-4-fluoroindole (CID 151831480) is 1-chloro-4-fluoroindole.
What is the SMILES notation for 1-chloro-4-fluoroindole?
The canonical SMILES for 1-chloro-4-fluoroindole is Fc1cccc2c1ccn2Cl.
What is the InChIKey of 1-chloro-4-fluoroindole?
The InChIKey is SETGSGOCAJHQIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5ClFN/c9-11-5-4-6-7(10)2-1-3-8(6)11/h1-5H.
What are the key properties of 1-chloro-4-fluoroindole?
1-chloro-4-fluoroindole has a molecular weight of 169.59 g/mol, XLogP of 2.78, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4-fluoroindole is sourced from PubChem (CID 151831480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).