1-[2-chloro-6-fluoro-4-(trifluoromethyl)phenyl]-4-methoxyindole

C16H10ClF4NO — CID 15767437

IUPAC1-[2-chloro-6-fluoro-4-(trifluoromethyl)phenyl]-4-methoxyindole
SMILESCOc1cccc2c1ccn2-c1c(F)cc(C(F)(F)F)cc1Cl
InChIInChI=1S/C16H10ClF4NO/c1-23-14-4-2-3-13-10(14)5-6-22(13)15-11(17)7-9(8-12(15)18)16(19,20)21/h2-8H,1H3
InChIKeyDIVAOFLJRVRLAK-UHFFFAOYSA-N
MW343.71 g/mol
LogP5.45
Rot. Bonds2

About 1-[2-chloro-6-fluoro-4-(trifluoromethyl)phenyl]-4-methoxyindole

1-[2-chloro-6-fluoro-4-(trifluoromethyl)phenyl]-4-methoxyindole (PubChem CID 15767437) has the molecular formula C16H10ClF4NO and a molecular weight of 343.71 g/mol. Its IUPAC name is 1-[2-chloro-6-fluoro-4-(trifluoromethyl)phenyl]-4-methoxyindole.

Molecular Properties

Compound Name1-[2-chloro-6-fluoro-4-(trifluoromethyl)phenyl]-4-methoxyindole
PubChem CID15767437
Molecular FormulaC16H10ClF4NO
Molecular Weight343.71 g/mol
Exact Mass343.04
IUPAC Name1-[2-chloro-6-fluoro-4-(trifluoromethyl)phenyl]-4-methoxyindole
SMILESCOc1cccc2c1ccn2-c1c(F)cc(C(F)(F)F)cc1Cl
InChIInChI=1S/C16H10ClF4NO/c1-23-14-4-2-3-13-10(14)5-6-22(13)15-11(17)7-9(8-12(15)18)16(19,20)21/h2-8H,1H3
InChIKeyDIVAOFLJRVRLAK-UHFFFAOYSA-N
XLogP5.45
TPSA14.16 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.71
LogP ≤ 55.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[2-chloro-6-fluoro-4-(trifluoromethyl)phenyl]-4-methoxyindole?
The IUPAC name of 1-[2-chloro-6-fluoro-4-(trifluoromethyl)phenyl]-4-methoxyindole (CID 15767437) is 1-[2-chloro-6-fluoro-4-(trifluoromethyl)phenyl]-4-methoxyindole.
What is the SMILES notation for 1-[2-chloro-6-fluoro-4-(trifluoromethyl)phenyl]-4-methoxyindole?
The canonical SMILES for 1-[2-chloro-6-fluoro-4-(trifluoromethyl)phenyl]-4-methoxyindole is COc1cccc2c1ccn2-c1c(F)cc(C(F)(F)F)cc1Cl.
What is the InChIKey of 1-[2-chloro-6-fluoro-4-(trifluoromethyl)phenyl]-4-methoxyindole?
The InChIKey is DIVAOFLJRVRLAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10ClF4NO/c1-23-14-4-2-3-13-10(14)5-6-22(13)15-11(17)7-9(8-12(15)18)16(19,20)21/h2-8H,1H3.
What are the key properties of 1-[2-chloro-6-fluoro-4-(trifluoromethyl)phenyl]-4-methoxyindole?
1-[2-chloro-6-fluoro-4-(trifluoromethyl)phenyl]-4-methoxyindole has a molecular weight of 343.71 g/mol, XLogP of 5.45, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-chloro-6-fluoro-4-(trifluoromethyl)phenyl]-4-methoxyindole is sourced from PubChem (CID 15767437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).