1-[2-(trifluoromethyl)-1H-indol-3-yl]pentan-1-one

C14H14F3NO — CID 10967536

IUPAC1-[2-(trifluoromethyl)-1H-indol-3-yl]pentan-1-one
SMILESCCCCC(=O)c1c(C(F)(F)F)[nH]c2ccccc12
InChIInChI=1S/C14H14F3NO/c1-2-3-8-11(19)12-9-6-4-5-7-10(9)18-13(12)14(15,16)17/h4-7,18H,2-3,8H2,1H3
InChIKeyCVIJFTQGNUZQFJ-UHFFFAOYSA-N
MW269.27 g/mol
LogP4.56
Rot. Bonds4

About 1-[2-(trifluoromethyl)-1H-indol-3-yl]pentan-1-one

1-[2-(trifluoromethyl)-1H-indol-3-yl]pentan-1-one (PubChem CID 10967536) has the molecular formula C14H14F3NO and a molecular weight of 269.27 g/mol. Its IUPAC name is 1-[2-(trifluoromethyl)-1H-indol-3-yl]pentan-1-one.

Molecular Properties

Compound Name1-[2-(trifluoromethyl)-1H-indol-3-yl]pentan-1-one
PubChem CID10967536
Molecular FormulaC14H14F3NO
Molecular Weight269.27 g/mol
Exact Mass269.10
IUPAC Name1-[2-(trifluoromethyl)-1H-indol-3-yl]pentan-1-one
SMILESCCCCC(=O)c1c(C(F)(F)F)[nH]c2ccccc12
InChIInChI=1S/C14H14F3NO/c1-2-3-8-11(19)12-9-6-4-5-7-10(9)18-13(12)14(15,16)17/h4-7,18H,2-3,8H2,1H3
InChIKeyCVIJFTQGNUZQFJ-UHFFFAOYSA-N
XLogP4.56
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.27
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-amino-1-[2-(trifluoromethyl)-1H-indol-3-yl]ethanone
CID 84703215
1-(2-methyl-1H-indol-3-yl)pentan-1-one
CID 4682217
1-(2-methyl-1H-indol-3-yl)nonan-1-one
CID 65449117
(4-fluorophenyl)-[2-(trifluoromethyl)-1H-indol-3-yl]methanone
CID 131870896
1-(2-butyl-1H-indol-3-yl)-2,2,2-trifluoroethanone
CID 67690251
methyl 4-[2-(trifluoromethyl)-1H-indol-3-yl]butanoate
CID 101463365
1-[2-(4-methylphenyl)sulfonyl-1H-indol-3-yl]hexan-1-one
CID 67686971
1-(9H-carbazol-1-yl)heptan-1-one
CID 174653122
4-(methylamino)-1-(2-methyl-1H-indol-3-yl)butan-1-one
CID 116915904
1-anthracen-9-ylhexadecan-1-one
CID 134887627
N,N-dimethyl-2-[2-(trifluoromethyl)-1H-indol-3-yl]ethanamine;2-propylhexanoic acid
CID 170356241
N-[1-(2-hydroxy-1H-indol-3-yl)pentylidene]benzamide
CID 136709035

Frequently Asked Questions

What is the IUPAC name of 1-[2-(trifluoromethyl)-1H-indol-3-yl]pentan-1-one?
The IUPAC name of 1-[2-(trifluoromethyl)-1H-indol-3-yl]pentan-1-one (CID 10967536) is 1-[2-(trifluoromethyl)-1H-indol-3-yl]pentan-1-one.
What is the SMILES notation for 1-[2-(trifluoromethyl)-1H-indol-3-yl]pentan-1-one?
The canonical SMILES for 1-[2-(trifluoromethyl)-1H-indol-3-yl]pentan-1-one is CCCCC(=O)c1c(C(F)(F)F)[nH]c2ccccc12.
What is the InChIKey of 1-[2-(trifluoromethyl)-1H-indol-3-yl]pentan-1-one?
The InChIKey is CVIJFTQGNUZQFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3NO/c1-2-3-8-11(19)12-9-6-4-5-7-10(9)18-13(12)14(15,16)17/h4-7,18H,2-3,8H2,1H3.
What are the key properties of 1-[2-(trifluoromethyl)-1H-indol-3-yl]pentan-1-one?
1-[2-(trifluoromethyl)-1H-indol-3-yl]pentan-1-one has a molecular weight of 269.27 g/mol, XLogP of 4.56, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(trifluoromethyl)-1H-indol-3-yl]pentan-1-one is sourced from PubChem (CID 10967536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).