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

C16H11F4NO — CID 117181955

IUPAC7-fluoro-3-[[4-(trifluoromethyl)phenoxy]methyl]-1H-indole
SMILESFc1cccc2c(COc3ccc(C(F)(F)F)cc3)c[nH]c12
InChIInChI=1S/C16H11F4NO/c17-14-3-1-2-13-10(8-21-15(13)14)9-22-12-6-4-11(5-7-12)16(18,19)20/h1-8,21H,9H2
InChIKeyIDZGPMRAOIJYRH-UHFFFAOYSA-N
MW309.26 g/mol
LogP4.90
Rot. Bonds3

About 7-fluoro-3-[[4-(trifluoromethyl)phenoxy]methyl]-1H-indole

7-fluoro-3-[[4-(trifluoromethyl)phenoxy]methyl]-1H-indole (PubChem CID 117181955) has the molecular formula C16H11F4NO and a molecular weight of 309.26 g/mol. Its IUPAC name is 7-fluoro-3-[[4-(trifluoromethyl)phenoxy]methyl]-1H-indole.

Molecular Properties

Compound Name7-fluoro-3-[[4-(trifluoromethyl)phenoxy]methyl]-1H-indole
PubChem CID117181955
Molecular FormulaC16H11F4NO
Molecular Weight309.26 g/mol
Exact Mass309.08
IUPAC Name7-fluoro-3-[[4-(trifluoromethyl)phenoxy]methyl]-1H-indole
SMILESFc1cccc2c(COc3ccc(C(F)(F)F)cc3)c[nH]c12
InChIInChI=1S/C16H11F4NO/c17-14-3-1-2-13-10(8-21-15(13)14)9-22-12-6-4-11(5-7-12)16(18,19)20/h1-8,21H,9H2
InChIKeyIDZGPMRAOIJYRH-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

7-fluoro-3-(pyridin-3-yloxymethyl)-1H-indole
CID 117182002
3-[(4-fluorophenoxy)methyl]-7-methyl-1H-indole
CID 117186238
7-fluoro-3-[[4-(trifluoromethyl)phenoxy]methyl]-1-benzofuran
CID 117181081
6-fluoro-3-[[4-(trifluoromethyl)phenoxy]methyl]-1H-indole
CID 117178516
3-[chloro-(7-fluoro-1H-indol-3-yl)-[4-(trifluoromethyl)phenyl]methyl]-7-fluoro-1H-indole
CID 155772337
7-methyl-3-[(4-methylphenoxy)methyl]-1H-indole
CID 117186236
3-(phenoxymethyl)-1H-indol-7-amine
CID 117181852
4-[[7-(aminomethyl)-1H-indol-3-yl]methoxy]phenol
CID 117181714
7-bromo-3-[(4-methylphenoxy)methyl]-1H-indole
CID 117181960
1-(7-fluoro-1H-indol-3-yl)-2-methylpropan-2-ol
CID 117197609
O-[2-(7-fluoro-1H-indol-3-yl)ethyl]hydroxylamine
CID 83484408
1-ethyl-2-[[4-(trifluoromethyl)phenoxy]methyl]benzene
CID 171509620

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-3-[[4-(trifluoromethyl)phenoxy]methyl]-1H-indole?
The IUPAC name of 7-fluoro-3-[[4-(trifluoromethyl)phenoxy]methyl]-1H-indole (CID 117181955) is 7-fluoro-3-[[4-(trifluoromethyl)phenoxy]methyl]-1H-indole.
What is the SMILES notation for 7-fluoro-3-[[4-(trifluoromethyl)phenoxy]methyl]-1H-indole?
The canonical SMILES for 7-fluoro-3-[[4-(trifluoromethyl)phenoxy]methyl]-1H-indole is Fc1cccc2c(COc3ccc(C(F)(F)F)cc3)c[nH]c12.
What is the InChIKey of 7-fluoro-3-[[4-(trifluoromethyl)phenoxy]methyl]-1H-indole?
The InChIKey is IDZGPMRAOIJYRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F4NO/c17-14-3-1-2-13-10(8-21-15(13)14)9-22-12-6-4-11(5-7-12)16(18,19)20/h1-8,21H,9H2.
What are the key properties of 7-fluoro-3-[[4-(trifluoromethyl)phenoxy]methyl]-1H-indole?
7-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 7-fluoro-3-[[4-(trifluoromethyl)phenoxy]methyl]-1H-indole is sourced from PubChem (CID 117181955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).