6-fluoro-3-[[4-(trifluoromethyl)phenoxy]methyl]-1H-indole

C16H11F4NO — CID 117178516

IUPAC6-fluoro-3-[[4-(trifluoromethyl)phenoxy]methyl]-1H-indole
SMILESFc1ccc2c(COc3ccc(C(F)(F)F)cc3)c[nH]c2c1
InChIInChI=1S/C16H11F4NO/c17-12-3-6-14-10(8-21-15(14)7-12)9-22-13-4-1-11(2-5-13)16(18,19)20/h1-8,21H,9H2
InChIKeyFCHACZGOSHKRTQ-UHFFFAOYSA-N
MW309.26 g/mol
LogP4.90
Rot. Bonds3

About 6-fluoro-3-[[4-(trifluoromethyl)phenoxy]methyl]-1H-indole

6-fluoro-3-[[4-(trifluoromethyl)phenoxy]methyl]-1H-indole (PubChem CID 117178516) has the molecular formula C16H11F4NO and a molecular weight of 309.26 g/mol. Its IUPAC name is 6-fluoro-3-[[4-(trifluoromethyl)phenoxy]methyl]-1H-indole.

Molecular Properties

Compound Name6-fluoro-3-[[4-(trifluoromethyl)phenoxy]methyl]-1H-indole
PubChem CID117178516
Molecular FormulaC16H11F4NO
Molecular Weight309.26 g/mol
Exact Mass309.08
IUPAC Name6-fluoro-3-[[4-(trifluoromethyl)phenoxy]methyl]-1H-indole
SMILESFc1ccc2c(COc3ccc(C(F)(F)F)cc3)c[nH]c2c1
InChIInChI=1S/C16H11F4NO/c17-12-3-6-14-10(8-21-15(14)7-12)9-22-13-4-1-11(2-5-13)16(18,19)20/h1-8,21H,9H2
InChIKeyFCHACZGOSHKRTQ-UHFFFAOYSA-N
XLogP4.90
TPSA25.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.26
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

[3-[(4-fluorophenoxy)methyl]-1H-indol-6-yl]methanamine
CID 117178283
6-fluoro-3-[(3-methylphenoxy)methyl]-1H-indole
CID 117178472
7-fluoro-3-[[4-(trifluoromethyl)phenoxy]methyl]-1H-indole
CID 117181955
6-fluoro-3-[(2-methylphenoxy)methyl]-1H-indole
CID 117178425
3-[(4-bromophenoxy)methyl]-1H-indol-6-ol
CID 117178531
2-[(4-hydroxyphenoxy)methyl]-5-(trifluoromethyl)phenol
CID 117221218
3-[(5-fluoro-1H-indol-3-yl)methoxy]phenol
CID 117175120
2-(6-fluoro-1H-indol-3-yl)ethanamine;hydron
CID 121393685
4-fluoro-3-[(4-fluorophenoxy)methyl]-1H-indole
CID 117171394
2,4-difluoro-1-[(4-fluorophenoxy)methyl]benzene
CID 64765828
6-fluoro-N-[4-(trifluoromethyl)phenyl]-1H-indole-3-carboxamide
CID 113206284
1-fluoro-4-[[3-(trifluoromethyl)phenyl]methoxy]benzene
CID 60627887

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-3-[[4-(trifluoromethyl)phenoxy]methyl]-1H-indole?
The IUPAC name of 6-fluoro-3-[[4-(trifluoromethyl)phenoxy]methyl]-1H-indole (CID 117178516) is 6-fluoro-3-[[4-(trifluoromethyl)phenoxy]methyl]-1H-indole.
What is the SMILES notation for 6-fluoro-3-[[4-(trifluoromethyl)phenoxy]methyl]-1H-indole?
The canonical SMILES for 6-fluoro-3-[[4-(trifluoromethyl)phenoxy]methyl]-1H-indole is Fc1ccc2c(COc3ccc(C(F)(F)F)cc3)c[nH]c2c1.
What is the InChIKey of 6-fluoro-3-[[4-(trifluoromethyl)phenoxy]methyl]-1H-indole?
The InChIKey is FCHACZGOSHKRTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F4NO/c17-12-3-6-14-10(8-21-15(14)7-12)9-22-13-4-1-11(2-5-13)16(18,19)20/h1-8,21H,9H2.
What are the key properties of 6-fluoro-3-[[4-(trifluoromethyl)phenoxy]methyl]-1H-indole?
6-fluoro-3-[[4-(trifluoromethyl)phenoxy]methyl]-1H-indole has a molecular weight of 309.26 g/mol, XLogP of 4.90, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-3-[[4-(trifluoromethyl)phenoxy]methyl]-1H-indole is sourced from PubChem (CID 117178516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).