5-[4-(trifluoromethoxy)phenyl]-3H-indole

C15H10F3NO — CID 163890994

IUPAC5-[4-(trifluoromethoxy)phenyl]-3H-indole
SMILESFC(F)(F)Oc1ccc(-c2ccc3c(c2)CC=N3)cc1
InChIInChI=1S/C15H10F3NO/c16-15(17,18)20-13-4-1-10(2-5-13)11-3-6-14-12(9-11)7-8-19-14/h1-6,8-9H,7H2
InChIKeySJGDCOZNDNPMMR-UHFFFAOYSA-N
MW277.25 g/mol
LogP4.51
Rot. Bonds2

About 5-[4-(trifluoromethoxy)phenyl]-3H-indole

5-[4-(trifluoromethoxy)phenyl]-3H-indole (PubChem CID 163890994) has the molecular formula C15H10F3NO and a molecular weight of 277.25 g/mol. Its IUPAC name is 5-[4-(trifluoromethoxy)phenyl]-3H-indole.

Molecular Properties

Compound Name5-[4-(trifluoromethoxy)phenyl]-3H-indole
PubChem CID163890994
Molecular FormulaC15H10F3NO
Molecular Weight277.25 g/mol
Exact Mass277.07
IUPAC Name5-[4-(trifluoromethoxy)phenyl]-3H-indole
SMILESFC(F)(F)Oc1ccc(-c2ccc3c(c2)CC=N3)cc1
InChIInChI=1S/C15H10F3NO/c16-15(17,18)20-13-4-1-10(2-5-13)11-3-6-14-12(9-11)7-8-19-14/h1-6,8-9H,7H2
InChIKeySJGDCOZNDNPMMR-UHFFFAOYSA-N
XLogP4.51
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.25
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-fluoro-3,5-bis[4-(trifluoromethoxy)phenyl]benzene
CID 164895353
2-fluoro-1-(trifluoromethoxy)-4-[4-(trifluoromethoxy)phenyl]benzene
CID 118845597
4-[3-bromo-4-(trifluoromethoxy)phenyl]pyridine;4-[4-(trifluoromethoxy)phenyl]pyridine
CID 158192598
2-fluoro-5-[4-(trifluoromethoxy)phenyl]phenol
CID 53219695
5-methylidene-2-[4-(trifluoromethoxy)phenyl]-4H-pyridine
CID 155581122
5-[4-(trifluoromethoxy)phenyl]-2,3-bis(trifluoromethyl)pyridine
CID 118991248
2-amino-4-[4-(trifluoromethoxy)phenyl]phenol
CID 162558400
2-methyl-4-[4-(trifluoromethoxy)phenyl]aniline
CID 54912467
5,6-dichloro-2-[4-(trifluoromethoxy)phenyl]-3H-indole
CID 159546280
1-ethyl-4-[4-(trifluoromethoxy)phenyl]benzene
CID 19436313
1-(difluoromethoxy)-3-[4-(trifluoromethoxy)phenyl]benzene
CID 134622409
[3-[4-(trifluoromethoxy)phenyl]phenyl]methylazanide
CID 157271933

Frequently Asked Questions

What is the IUPAC name of 5-[4-(trifluoromethoxy)phenyl]-3H-indole?
The IUPAC name of 5-[4-(trifluoromethoxy)phenyl]-3H-indole (CID 163890994) is 5-[4-(trifluoromethoxy)phenyl]-3H-indole.
What is the SMILES notation for 5-[4-(trifluoromethoxy)phenyl]-3H-indole?
The canonical SMILES for 5-[4-(trifluoromethoxy)phenyl]-3H-indole is FC(F)(F)Oc1ccc(-c2ccc3c(c2)CC=N3)cc1.
What is the InChIKey of 5-[4-(trifluoromethoxy)phenyl]-3H-indole?
The InChIKey is SJGDCOZNDNPMMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F3NO/c16-15(17,18)20-13-4-1-10(2-5-13)11-3-6-14-12(9-11)7-8-19-14/h1-6,8-9H,7H2.
What are the key properties of 5-[4-(trifluoromethoxy)phenyl]-3H-indole?
5-[4-(trifluoromethoxy)phenyl]-3H-indole has a molecular weight of 277.25 g/mol, XLogP of 4.51, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(trifluoromethoxy)phenyl]-3H-indole is sourced from PubChem (CID 163890994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).