2-[[2-(trifluoromethyl)phenoxy]methyl]-1H-indole

C16H12F3NO — CID 117173198

IUPAC2-[[2-(trifluoromethyl)phenoxy]methyl]-1H-indole
SMILESFC(F)(F)c1ccccc1OCc1cc2ccccc2[nH]1
InChIInChI=1S/C16H12F3NO/c17-16(18,19)13-6-2-4-8-15(13)21-10-12-9-11-5-1-3-7-14(11)20-12/h1-9,20H,10H2
InChIKeyAOGMSBNSRRLUGF-UHFFFAOYSA-N
MW291.27 g/mol
LogP4.77
Rot. Bonds3

About 2-[[2-(trifluoromethyl)phenoxy]methyl]-1H-indole

2-[[2-(trifluoromethyl)phenoxy]methyl]-1H-indole (PubChem CID 117173198) has the molecular formula C16H12F3NO and a molecular weight of 291.27 g/mol. Its IUPAC name is 2-[[2-(trifluoromethyl)phenoxy]methyl]-1H-indole.

Molecular Properties

Compound Name2-[[2-(trifluoromethyl)phenoxy]methyl]-1H-indole
PubChem CID117173198
Molecular FormulaC16H12F3NO
Molecular Weight291.27 g/mol
Exact Mass291.09
IUPAC Name2-[[2-(trifluoromethyl)phenoxy]methyl]-1H-indole
SMILESFC(F)(F)c1ccccc1OCc1cc2ccccc2[nH]1
InChIInChI=1S/C16H12F3NO/c17-16(18,19)13-6-2-4-8-15(13)21-10-12-9-11-5-1-3-7-14(11)20-12/h1-9,20H,10H2
InChIKeyAOGMSBNSRRLUGF-UHFFFAOYSA-N
XLogP4.77
TPSA25.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.27
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

5-chloro-2-[(2-fluorophenoxy)methyl]-1H-indole
CID 117176713
2-[(3-fluorophenoxy)methyl]-1H-indole
CID 117173285
5-[[2-(trifluoromethyl)phenoxy]methyl]-1H-pyrazol-3-amine
CID 117215893
2-[(6-fluoro-1H-indol-2-yl)methoxy]phenol
CID 117180167
2-[(2-fluorophenoxy)methyl]-1H-indol-6-ol
CID 117180148
1-(trifluoromethyl)-2-[[4-(trifluoromethyl)phenyl]methoxy]benzene
CID 174057400
2-[(2-fluorophenoxy)methyl]-6-methyl-1H-indole
CID 117185935
1,4-dibromo-2,5-bis[[2-(trifluoromethyl)phenoxy]methyl]benzene
CID 86588170
ethane;1-phenylmethoxy-2-(trifluoromethyl)benzene
CID 144801001
2-[[4-(trifluoromethyl)phenoxy]methyl]-1H-indol-5-ol
CID 117176788
2-(2-fluoroethyl)-1H-indole
CID 142633825
2,2,2-trifluoro-N-(1H-indol-2-ylmethyl)ethanamine
CID 62095860

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(trifluoromethyl)phenoxy]methyl]-1H-indole?
The IUPAC name of 2-[[2-(trifluoromethyl)phenoxy]methyl]-1H-indole (CID 117173198) is 2-[[2-(trifluoromethyl)phenoxy]methyl]-1H-indole.
What is the SMILES notation for 2-[[2-(trifluoromethyl)phenoxy]methyl]-1H-indole?
The canonical SMILES for 2-[[2-(trifluoromethyl)phenoxy]methyl]-1H-indole is FC(F)(F)c1ccccc1OCc1cc2ccccc2[nH]1.
What is the InChIKey of 2-[[2-(trifluoromethyl)phenoxy]methyl]-1H-indole?
The InChIKey is AOGMSBNSRRLUGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F3NO/c17-16(18,19)13-6-2-4-8-15(13)21-10-12-9-11-5-1-3-7-14(11)20-12/h1-9,20H,10H2.
What are the key properties of 2-[[2-(trifluoromethyl)phenoxy]methyl]-1H-indole?
2-[[2-(trifluoromethyl)phenoxy]methyl]-1H-indole has a molecular weight of 291.27 g/mol, XLogP of 4.77, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(trifluoromethyl)phenoxy]methyl]-1H-indole is sourced from PubChem (CID 117173198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).