1-[1-propan-2-yl-5-(trifluoromethyl)-2,3-dihydroindol-3-yl]propan-2-one

C15H18F3NO — CID 117201707

IUPAC1-[1-propan-2-yl-5-(trifluoromethyl)-2,3-dihydroindol-3-yl]propan-2-one
SMILESCC(=O)CC1CN(C(C)C)c2ccc(C(F)(F)F)cc21
InChIInChI=1S/C15H18F3NO/c1-9(2)19-8-11(6-10(3)20)13-7-12(15(16,17)18)4-5-14(13)19/h4-5,7,9,11H,6,8H2,1-3H3
InChIKeyLHLZSEGHUDWSOF-UHFFFAOYSA-N
MW285.31 g/mol
LogP4.00
Rot. Bonds3

About 1-[1-propan-2-yl-5-(trifluoromethyl)-2,3-dihydroindol-3-yl]propan-2-one

1-[1-propan-2-yl-5-(trifluoromethyl)-2,3-dihydroindol-3-yl]propan-2-one (PubChem CID 117201707) has the molecular formula C15H18F3NO and a molecular weight of 285.31 g/mol. Its IUPAC name is 1-[1-propan-2-yl-5-(trifluoromethyl)-2,3-dihydroindol-3-yl]propan-2-one.

Molecular Properties

Compound Name1-[1-propan-2-yl-5-(trifluoromethyl)-2,3-dihydroindol-3-yl]propan-2-one
PubChem CID117201707
Molecular FormulaC15H18F3NO
Molecular Weight285.31 g/mol
Exact Mass285.13
IUPAC Name1-[1-propan-2-yl-5-(trifluoromethyl)-2,3-dihydroindol-3-yl]propan-2-one
SMILESCC(=O)CC1CN(C(C)C)c2ccc(C(F)(F)F)cc21
InChIInChI=1S/C15H18F3NO/c1-9(2)19-8-11(6-10(3)20)13-7-12(15(16,17)18)4-5-14(13)19/h4-5,7,9,11H,6,8H2,1-3H3
InChIKeyLHLZSEGHUDWSOF-UHFFFAOYSA-N
XLogP4.00
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.31
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

O-[[1-propan-2-yl-5-(trifluoromethyl)-2,3-dihydroindol-3-yl]methyl]hydroxylamine
CID 117201719
N-methyl-1-[1-propan-2-yl-5-(trifluoromethyl)-2,3-dihydroindol-3-yl]ethanamine
CID 117201728
3-(5-hydroxy-1-propan-2-yl-2,3-dihydroindol-3-yl)-2,2-dimethylpropanoic acid
CID 117202632
(5-fluoro-1-propan-2-yl-2,3-dihydroindol-3-yl)methanamine
CID 83861224
2-[4-[acetyl-[[3,5-bis(trifluoromethyl)phenyl]methyl]amino]-6-(trifluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]propyl formate
CID 174431498
(5-chloro-1-propan-2-yl-2,3-dihydroindol-3-yl)methanamine
CID 83868804
1-[1-propan-2-yl-6-(trifluoromethyl)indol-2-yl]propan-2-one
CID 117195786
2-[4-[[3,5-bis(trifluoromethyl)phenyl]methyl-carbonochloridoylamino]-6-(trifluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]propyl formate
CID 174431576
2-[4-[[3,5-bis(trifluoromethyl)phenyl]methyl-methoxycarbonylamino]-6-(trifluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]propyl formate
CID 174469397
1-[(3S)-2-cyclohexyl-1,1-dioxo-5-(trifluoromethyl)-3H-1,2-benzothiazol-3-yl]propan-2-one
CID 24747349
ethane;1-[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]propan-2-one
CID 142379007
(4R)-1-ethyl-6-(trifluoromethyl)-3,4-dihydro-2H-quinolin-4-ol
CID 6926181

Frequently Asked Questions

What is the IUPAC name of 1-[1-propan-2-yl-5-(trifluoromethyl)-2,3-dihydroindol-3-yl]propan-2-one?
The IUPAC name of 1-[1-propan-2-yl-5-(trifluoromethyl)-2,3-dihydroindol-3-yl]propan-2-one (CID 117201707) is 1-[1-propan-2-yl-5-(trifluoromethyl)-2,3-dihydroindol-3-yl]propan-2-one.
What is the SMILES notation for 1-[1-propan-2-yl-5-(trifluoromethyl)-2,3-dihydroindol-3-yl]propan-2-one?
The canonical SMILES for 1-[1-propan-2-yl-5-(trifluoromethyl)-2,3-dihydroindol-3-yl]propan-2-one is CC(=O)CC1CN(C(C)C)c2ccc(C(F)(F)F)cc21.
What is the InChIKey of 1-[1-propan-2-yl-5-(trifluoromethyl)-2,3-dihydroindol-3-yl]propan-2-one?
The InChIKey is LHLZSEGHUDWSOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F3NO/c1-9(2)19-8-11(6-10(3)20)13-7-12(15(16,17)18)4-5-14(13)19/h4-5,7,9,11H,6,8H2,1-3H3.
What are the key properties of 1-[1-propan-2-yl-5-(trifluoromethyl)-2,3-dihydroindol-3-yl]propan-2-one?
1-[1-propan-2-yl-5-(trifluoromethyl)-2,3-dihydroindol-3-yl]propan-2-one has a molecular weight of 285.31 g/mol, XLogP of 4.00, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-propan-2-yl-5-(trifluoromethyl)-2,3-dihydroindol-3-yl]propan-2-one is sourced from PubChem (CID 117201707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).