6-chloro-2-methyl-3-[[3-(trifluoromethoxy)phenyl]methyl]-1H-indole

C17H13ClF3NO — CID 58957271

IUPAC6-chloro-2-methyl-3-[[3-(trifluoromethoxy)phenyl]methyl]-1H-indole
SMILESCc1[nH]c2cc(Cl)ccc2c1Cc1cccc(OC(F)(F)F)c1
InChIInChI=1S/C17H13ClF3NO/c1-10-15(14-6-5-12(18)9-16(14)22-10)8-11-3-2-4-13(7-11)23-17(19,20)21/h2-7,9,22H,8H2,1H3
InChIKeySZDHSNPCUKGZDH-UHFFFAOYSA-N
MW339.74 g/mol
LogP5.62
Rot. Bonds3

About 6-chloro-2-methyl-3-[[3-(trifluoromethoxy)phenyl]methyl]-1H-indole

6-chloro-2-methyl-3-[[3-(trifluoromethoxy)phenyl]methyl]-1H-indole (PubChem CID 58957271) has the molecular formula C17H13ClF3NO and a molecular weight of 339.74 g/mol. Its IUPAC name is 6-chloro-2-methyl-3-[[3-(trifluoromethoxy)phenyl]methyl]-1H-indole.

Molecular Properties

Compound Name6-chloro-2-methyl-3-[[3-(trifluoromethoxy)phenyl]methyl]-1H-indole
PubChem CID58957271
Molecular FormulaC17H13ClF3NO
Molecular Weight339.74 g/mol
Exact Mass339.06
IUPAC Name6-chloro-2-methyl-3-[[3-(trifluoromethoxy)phenyl]methyl]-1H-indole
SMILESCc1[nH]c2cc(Cl)ccc2c1Cc1cccc(OC(F)(F)F)c1
InChIInChI=1S/C17H13ClF3NO/c1-10-15(14-6-5-12(18)9-16(14)22-10)8-11-3-2-4-13(7-11)23-17(19,20)21/h2-7,9,22H,8H2,1H3
InChIKeySZDHSNPCUKGZDH-UHFFFAOYSA-N
XLogP5.62
TPSA25.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.74
LogP ≤ 55.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

1-(trifluoromethoxy)-3-[[3-(trifluoromethoxy)phenyl]methyl]benzene
CID 87763466
2-(6-chloro-2-methyl-1H-indol-3-yl)ethanamine
CID 28806617
3-[(2-tert-butyl-6-chloro-1H-indol-3-yl)methyl]benzoic acid
CID 69096840
acetic acid;6-chloro-2,3-dimethyl-1-[[3-(trifluoromethoxy)phenyl]methyl]indole
CID 67244607
2-(6-chloro-2-methyl-1H-indol-3-yl)-N-ethylethanamine
CID 82496918
4-methyl-2-[[3-(trifluoromethoxy)phenyl]methyl]-1,3-oxazole
CID 123620380
methyl 2-[6-chloro-2-[4-(trifluoromethoxy)benzoyl]-1H-indol-3-yl]acetate
CID 23003215
methyl-[[3-(trifluoromethoxy)phenyl]methyl]phosphane
CID 142185562
2-[3-[[1-(4-chlorobenzoyl)-2-methyl-5-(trifluoromethoxy)indol-3-yl]methyl]phenoxy]propanoic acid
CID 10143252
(3-fluorophenyl)methyl-[2-[2-methyl-5-(trifluoromethoxy)-1H-indol-3-yl]ethyl]azanium
CID 4173618
1-butyl-3-(trifluoromethoxy)benzene
CID 57030134
1-methyl-4-[[3-(trifluoromethoxy)phenyl]methoxy]benzene
CID 143173489

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-methyl-3-[[3-(trifluoromethoxy)phenyl]methyl]-1H-indole?
The IUPAC name of 6-chloro-2-methyl-3-[[3-(trifluoromethoxy)phenyl]methyl]-1H-indole (CID 58957271) is 6-chloro-2-methyl-3-[[3-(trifluoromethoxy)phenyl]methyl]-1H-indole.
What is the SMILES notation for 6-chloro-2-methyl-3-[[3-(trifluoromethoxy)phenyl]methyl]-1H-indole?
The canonical SMILES for 6-chloro-2-methyl-3-[[3-(trifluoromethoxy)phenyl]methyl]-1H-indole is Cc1[nH]c2cc(Cl)ccc2c1Cc1cccc(OC(F)(F)F)c1.
What is the InChIKey of 6-chloro-2-methyl-3-[[3-(trifluoromethoxy)phenyl]methyl]-1H-indole?
The InChIKey is SZDHSNPCUKGZDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClF3NO/c1-10-15(14-6-5-12(18)9-16(14)22-10)8-11-3-2-4-13(7-11)23-17(19,20)21/h2-7,9,22H,8H2,1H3.
What are the key properties of 6-chloro-2-methyl-3-[[3-(trifluoromethoxy)phenyl]methyl]-1H-indole?
6-chloro-2-methyl-3-[[3-(trifluoromethoxy)phenyl]methyl]-1H-indole has a molecular weight of 339.74 g/mol, XLogP of 5.62, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-methyl-3-[[3-(trifluoromethoxy)phenyl]methyl]-1H-indole is sourced from PubChem (CID 58957271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).