phenyl-[2-(trifluoromethyl)-1H-indol-3-yl]methanone

C16H10F3NO — CID 11011686

IUPACphenyl-[2-(trifluoromethyl)-1H-indol-3-yl]methanone
SMILESO=C(c1ccccc1)c1c(C(F)(F)F)[nH]c2ccccc12
InChIInChI=1S/C16H10F3NO/c17-16(18,19)15-13(11-8-4-5-9-12(11)20-15)14(21)10-6-2-1-3-7-10/h1-9,20H
InChIKeyWXRXTTPCWXBCFH-UHFFFAOYSA-N
MW289.26 g/mol
LogP4.42
Rot. Bonds2

About phenyl-[2-(trifluoromethyl)-1H-indol-3-yl]methanone

phenyl-[2-(trifluoromethyl)-1H-indol-3-yl]methanone (PubChem CID 11011686) has the molecular formula C16H10F3NO and a molecular weight of 289.26 g/mol. Its IUPAC name is phenyl-[2-(trifluoromethyl)-1H-indol-3-yl]methanone.

Molecular Properties

Compound Namephenyl-[2-(trifluoromethyl)-1H-indol-3-yl]methanone
PubChem CID11011686
Molecular FormulaC16H10F3NO
Molecular Weight289.26 g/mol
Exact Mass289.07
IUPAC Namephenyl-[2-(trifluoromethyl)-1H-indol-3-yl]methanone
SMILESO=C(c1ccccc1)c1c(C(F)(F)F)[nH]c2ccccc12
InChIInChI=1S/C16H10F3NO/c17-16(18,19)15-13(11-8-4-5-9-12(11)20-15)14(21)10-6-2-1-3-7-10/h1-9,20H
InChIKeyWXRXTTPCWXBCFH-UHFFFAOYSA-N
XLogP4.42
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.26
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

Biriperone
CID 68663
AM-694
CID 9889172
3-Acetylindole
CID 12802
Indole, 3-(dimethylaminoacetyl)-
CID 34863
1-(1H-Indol-3-yl)-2-(1-piperidinyl)ethanone
CID 34864
CK-666
CID 589075
2-Chloro-1-(2-methyl-1H-indol-3-yl)ethanone
CID 723221
1H-Indole-3-carboxaldehyde, 1-methyl-2-phenyl-
CID 74468
3-Formyl-2-methylindole
CID 73166
Carbazole-3-carboxaldehyde
CID 504067
3-(3-Dimethylaminopropionyl)indole
CID 32750
2,3,4,9-tetrahydro-1H-carbazol-1-one
CID 285865

Frequently Asked Questions

What is the IUPAC name of phenyl-[2-(trifluoromethyl)-1H-indol-3-yl]methanone?
The IUPAC name of phenyl-[2-(trifluoromethyl)-1H-indol-3-yl]methanone (CID 11011686) is phenyl-[2-(trifluoromethyl)-1H-indol-3-yl]methanone.
What is the SMILES notation for phenyl-[2-(trifluoromethyl)-1H-indol-3-yl]methanone?
The canonical SMILES for phenyl-[2-(trifluoromethyl)-1H-indol-3-yl]methanone is O=C(c1ccccc1)c1c(C(F)(F)F)[nH]c2ccccc12.
What is the InChIKey of phenyl-[2-(trifluoromethyl)-1H-indol-3-yl]methanone?
The InChIKey is WXRXTTPCWXBCFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10F3NO/c17-16(18,19)15-13(11-8-4-5-9-12(11)20-15)14(21)10-6-2-1-3-7-10/h1-9,20H.
What are the key properties of phenyl-[2-(trifluoromethyl)-1H-indol-3-yl]methanone?
phenyl-[2-(trifluoromethyl)-1H-indol-3-yl]methanone has a molecular weight of 289.26 g/mol, XLogP of 4.42, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl-[2-(trifluoromethyl)-1H-indol-3-yl]methanone is sourced from PubChem (CID 11011686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).