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

C16H11ClF3N — CID 139401317

IUPAC3-[[2-chloro-6-(trifluoromethyl)phenyl]methyl]-1H-indole
SMILESFC(F)(F)c1cccc(Cl)c1Cc1c[nH]c2ccccc12
InChIInChI=1S/C16H11ClF3N/c17-14-6-3-5-13(16(18,19)20)12(14)8-10-9-21-15-7-2-1-4-11(10)15/h1-7,9,21H,8H2
InChIKeySAWWPSUCZZTCAW-UHFFFAOYSA-N
MW309.72 g/mol
LogP5.43
Rot. Bonds2

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

3-[[2-chloro-6-(trifluoromethyl)phenyl]methyl]-1H-indole (PubChem CID 139401317) has the molecular formula C16H11ClF3N and a molecular weight of 309.72 g/mol. Its IUPAC name is 3-[[2-chloro-6-(trifluoromethyl)phenyl]methyl]-1H-indole.

Molecular Properties

Compound Name3-[[2-chloro-6-(trifluoromethyl)phenyl]methyl]-1H-indole
PubChem CID139401317
Molecular FormulaC16H11ClF3N
Molecular Weight309.72 g/mol
Exact Mass309.05
IUPAC Name3-[[2-chloro-6-(trifluoromethyl)phenyl]methyl]-1H-indole
SMILESFC(F)(F)c1cccc(Cl)c1Cc1c[nH]c2ccccc12
InChIInChI=1S/C16H11ClF3N/c17-14-6-3-5-13(16(18,19)20)12(14)8-10-9-21-15-7-2-1-4-11(10)15/h1-7,9,21H,8H2
InChIKeySAWWPSUCZZTCAW-UHFFFAOYSA-N
XLogP5.43
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500309.72
LogP ≤ 55.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Related Compounds

2-(1H-indol-3-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]acetamide
CID 20969118
4-[3-(1H-indol-3-yl)propyl]-3,5-bis(trifluoromethyl)aniline
CID 158244585
3-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]-1H-indole
CID 175085048
2-(1H-indol-3-ylmethyl)-3-methylaniline
CID 175306160
N-[(2-chloro-6-methoxyphenyl)methyl]-1-(1H-indol-3-yl)methanamine
CID 103291932
N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(1H-indol-3-yl)acetamide
CID 113098868
N'-[2-(1H-indol-3-yl)acetyl]-2-(trifluoromethyl)benzohydrazide
CID 32742935
3-[[5-[(2,6-dichlorophenyl)methylsulfanyl]-4-ethyl-1,2,4-triazol-3-yl]methyl]-1H-indole
CID 57475386
1-chloro-5-(trifluoromethyl)naphthalene
CID 20538520
chloro 2-(1H-indol-3-yl)acetate
CID 174694401
2-[2-(1H-indol-3-yl)ethylamino]-6-(trifluoromethyl)benzoic acid
CID 170655480
3-ethyl-1H-indole;methanamine
CID 142222050

Frequently Asked Questions

What is the IUPAC name of 3-[[2-chloro-6-(trifluoromethyl)phenyl]methyl]-1H-indole?
The IUPAC name of 3-[[2-chloro-6-(trifluoromethyl)phenyl]methyl]-1H-indole (CID 139401317) is 3-[[2-chloro-6-(trifluoromethyl)phenyl]methyl]-1H-indole.
What is the SMILES notation for 3-[[2-chloro-6-(trifluoromethyl)phenyl]methyl]-1H-indole?
The canonical SMILES for 3-[[2-chloro-6-(trifluoromethyl)phenyl]methyl]-1H-indole is FC(F)(F)c1cccc(Cl)c1Cc1c[nH]c2ccccc12.
What is the InChIKey of 3-[[2-chloro-6-(trifluoromethyl)phenyl]methyl]-1H-indole?
The InChIKey is SAWWPSUCZZTCAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClF3N/c17-14-6-3-5-13(16(18,19)20)12(14)8-10-9-21-15-7-2-1-4-11(10)15/h1-7,9,21H,8H2.
What are the key properties of 3-[[2-chloro-6-(trifluoromethyl)phenyl]methyl]-1H-indole?
3-[[2-chloro-6-(trifluoromethyl)phenyl]methyl]-1H-indole has a molecular weight of 309.72 g/mol, XLogP of 5.43, 2 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-chloro-6-(trifluoromethyl)phenyl]methyl]-1H-indole is sourced from PubChem (CID 139401317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).