1-[(Z)-2,3-dichloroprop-2-enyl]-6-fluoroindole

C11H8Cl2FN — CID 116619963

IUPAC1-[(Z)-2,3-dichloroprop-2-enyl]-6-fluoroindole
SMILESFc1ccc2ccn(C/C(Cl)=C/Cl)c2c1
InChIInChI=1S/C11H8Cl2FN/c12-6-9(13)7-15-4-3-8-1-2-10(14)5-11(8)15/h1-6H,7H2/b9-6-
InChIKeyVTHRIAIDDBGNAG-TWGQIWQCSA-N
MW244.10 g/mol
LogP4.10
Rot. Bonds2

About 1-[(Z)-2,3-dichloroprop-2-enyl]-6-fluoroindole

1-[(Z)-2,3-dichloroprop-2-enyl]-6-fluoroindole (PubChem CID 116619963) has the molecular formula C11H8Cl2FN and a molecular weight of 244.10 g/mol. Its IUPAC name is 1-[(Z)-2,3-dichloroprop-2-enyl]-6-fluoroindole.

Molecular Properties

Compound Name1-[(Z)-2,3-dichloroprop-2-enyl]-6-fluoroindole
PubChem CID116619963
Molecular FormulaC11H8Cl2FN
Molecular Weight244.10 g/mol
Exact Mass243.00
IUPAC Name1-[(Z)-2,3-dichloroprop-2-enyl]-6-fluoroindole
SMILESFc1ccc2ccn(C/C(Cl)=C/Cl)c2c1
InChIInChI=1S/C11H8Cl2FN/c12-6-9(13)7-15-4-3-8-1-2-10(14)5-11(8)15/h1-6H,7H2/b9-6-
InChIKeyVTHRIAIDDBGNAG-TWGQIWQCSA-N
XLogP4.10
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.10
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[(Z)-2,3-dichloroprop-2-enyl]-6-fluoroindole?
The IUPAC name of 1-[(Z)-2,3-dichloroprop-2-enyl]-6-fluoroindole (CID 116619963) is 1-[(Z)-2,3-dichloroprop-2-enyl]-6-fluoroindole.
What is the SMILES notation for 1-[(Z)-2,3-dichloroprop-2-enyl]-6-fluoroindole?
The canonical SMILES for 1-[(Z)-2,3-dichloroprop-2-enyl]-6-fluoroindole is Fc1ccc2ccn(C/C(Cl)=C/Cl)c2c1.
What is the InChIKey of 1-[(Z)-2,3-dichloroprop-2-enyl]-6-fluoroindole?
The InChIKey is VTHRIAIDDBGNAG-TWGQIWQCSA-N. The full InChI is InChI=1S/C11H8Cl2FN/c12-6-9(13)7-15-4-3-8-1-2-10(14)5-11(8)15/h1-6H,7H2/b9-6-.
What are the key properties of 1-[(Z)-2,3-dichloroprop-2-enyl]-6-fluoroindole?
1-[(Z)-2,3-dichloroprop-2-enyl]-6-fluoroindole has a molecular weight of 244.10 g/mol, XLogP of 4.10, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(Z)-2,3-dichloroprop-2-enyl]-6-fluoroindole is sourced from PubChem (CID 116619963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).