1-[[3-(trifluoromethyl)phenyl]methyl]-3H-indol-2-one

C16H12F3NO — CID 141283536

IUPAC1-[[3-(trifluoromethyl)phenyl]methyl]-3H-indol-2-one
SMILESO=C1Cc2ccccc2N1Cc1cccc(C(F)(F)F)c1
InChIInChI=1S/C16H12F3NO/c17-16(18,19)13-6-3-4-11(8-13)10-20-14-7-2-1-5-12(14)9-15(20)21/h1-8H,9-10H2
InChIKeyOPDOARUPGAVZIT-UHFFFAOYSA-N
MW291.27 g/mol
LogP3.79
Rot. Bonds2

About 1-[[3-(trifluoromethyl)phenyl]methyl]-3H-indol-2-one

1-[[3-(trifluoromethyl)phenyl]methyl]-3H-indol-2-one (PubChem CID 141283536) has the molecular formula C16H12F3NO and a molecular weight of 291.27 g/mol. Its IUPAC name is 1-[[3-(trifluoromethyl)phenyl]methyl]-3H-indol-2-one.

Molecular Properties

Compound Name1-[[3-(trifluoromethyl)phenyl]methyl]-3H-indol-2-one
PubChem CID141283536
Molecular FormulaC16H12F3NO
Molecular Weight291.27 g/mol
Exact Mass291.09
IUPAC Name1-[[3-(trifluoromethyl)phenyl]methyl]-3H-indol-2-one
SMILESO=C1Cc2ccccc2N1Cc1cccc(C(F)(F)F)c1
InChIInChI=1S/C16H12F3NO/c17-16(18,19)13-6-3-4-11(8-13)10-20-14-7-2-1-5-12(14)9-15(20)21/h1-8H,9-10H2
InChIKeyOPDOARUPGAVZIT-UHFFFAOYSA-N
XLogP3.79
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.27
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-[(2-oxo-3H-indol-1-yl)methyl]benzenediazonium
CID 174756583
1-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]-3H-indol-2-one
CID 10157148
5-benzyl-1,1-dioxo-2-[[3-(trifluoromethyl)phenyl]methyl]-3H-1λ6,2,5-benzothiadiazepin-4-one
CID 46375403
2-[[3-(trifluoromethyl)phenyl]methyl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
CID 176730709
2-[[3-(trifluoromethyl)phenyl]methyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione
CID 47004139
4-hydroxy-1-[[3-(trifluoromethyl)phenyl]methyl]-3H-pyrrol-2-one
CID 174649113
1-cyclopropyl-3-[[3-(trifluoromethyl)phenyl]methyl]imidazolidine-2,4-dione
CID 87022452
1-[(4-methylphenyl)methyl]-3H-indol-2-one
CID 82083873
1-[(3-amino-4-chlorophenyl)methyl]-3H-indol-2-one
CID 43349881
2-[(4-methylphenyl)methyl]-1,1-dioxo-5-[[3-(trifluoromethyl)phenyl]methyl]-3H-1λ6,2,5-benzothiadiazepin-4-one
CID 20970960
1-methyl-2-sulfanylidene-3-[[3-(trifluoromethyl)phenyl]methyl]imidazolidin-4-one
CID 169159945
1'-[[3-(trifluoromethyl)phenyl]methyl]spiro[1,3-dioxepane-2,3'-indole]-2'-one
CID 17138691

Frequently Asked Questions

What is the IUPAC name of 1-[[3-(trifluoromethyl)phenyl]methyl]-3H-indol-2-one?
The IUPAC name of 1-[[3-(trifluoromethyl)phenyl]methyl]-3H-indol-2-one (CID 141283536) is 1-[[3-(trifluoromethyl)phenyl]methyl]-3H-indol-2-one.
What is the SMILES notation for 1-[[3-(trifluoromethyl)phenyl]methyl]-3H-indol-2-one?
The canonical SMILES for 1-[[3-(trifluoromethyl)phenyl]methyl]-3H-indol-2-one is O=C1Cc2ccccc2N1Cc1cccc(C(F)(F)F)c1.
What is the InChIKey of 1-[[3-(trifluoromethyl)phenyl]methyl]-3H-indol-2-one?
The InChIKey is OPDOARUPGAVZIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F3NO/c17-16(18,19)13-6-3-4-11(8-13)10-20-14-7-2-1-5-12(14)9-15(20)21/h1-8H,9-10H2.
What are the key properties of 1-[[3-(trifluoromethyl)phenyl]methyl]-3H-indol-2-one?
1-[[3-(trifluoromethyl)phenyl]methyl]-3H-indol-2-one has a molecular weight of 291.27 g/mol, XLogP of 3.79, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-(trifluoromethyl)phenyl]methyl]-3H-indol-2-one is sourced from PubChem (CID 141283536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).