1-(5-fluoro-2-methyl-1H-indol-3-yl)-2-methylpropan-1-one

C13H14FNO — CID 82079500

IUPAC1-(5-fluoro-2-methyl-1H-indol-3-yl)-2-methylpropan-1-one
SMILESCc1[nH]c2ccc(F)cc2c1C(=O)C(C)C
InChIInChI=1S/C13H14FNO/c1-7(2)13(16)12-8(3)15-11-5-4-9(14)6-10(11)12/h4-7,15H,1-3H3
InChIKeyYGNXBGBQBYZTNO-UHFFFAOYSA-N
MW219.26 g/mol
LogP3.45
Rot. Bonds2

About 1-(5-fluoro-2-methyl-1H-indol-3-yl)-2-methylpropan-1-one

1-(5-fluoro-2-methyl-1H-indol-3-yl)-2-methylpropan-1-one (PubChem CID 82079500) has the molecular formula C13H14FNO and a molecular weight of 219.26 g/mol. Its IUPAC name is 1-(5-fluoro-2-methyl-1H-indol-3-yl)-2-methylpropan-1-one.

Molecular Properties

Compound Name1-(5-fluoro-2-methyl-1H-indol-3-yl)-2-methylpropan-1-one
PubChem CID82079500
Molecular FormulaC13H14FNO
Molecular Weight219.26 g/mol
Exact Mass219.11
IUPAC Name1-(5-fluoro-2-methyl-1H-indol-3-yl)-2-methylpropan-1-one
SMILESCc1[nH]c2ccc(F)cc2c1C(=O)C(C)C
InChIInChI=1S/C13H14FNO/c1-7(2)13(16)12-8(3)15-11-5-4-9(14)6-10(11)12/h4-7,15H,1-3H3
InChIKeyYGNXBGBQBYZTNO-UHFFFAOYSA-N
XLogP3.45
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.26
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(5-ethoxy-2-methyl-1H-indol-3-yl)-2-methylpropan-1-one
CID 82279192
(2,5-dimethyl-1H-indol-3-yl)-(4-fluorophenyl)methanone
CID 82092209
N-(5-fluoro-2-methyl-1H-indol-3-yl)acetamide
CID 45258699
5-fluoro-N-[2-(2-hydroxyphenyl)ethyl]-2-methyl-1H-indole-3-carboxamide
CID 110614865
6-fluoro-2-methyl-1H-indole-3-carboxylic acid
CID 82402312
2-(5-fluoro-2-methyl-1H-indol-3-yl)-N,N-dimethylacetamide
CID 31968622
5-fluoro-3-methyl-1H-indole-2-carboxylic acid
CID 1132967
(2R)-2-[[(1R)-1-(2,4-difluorophenyl)ethyl]amino]-1-(2-methyl-1H-indol-3-yl)propan-1-one
CID 9369046
N-[2-(cyclopropylamino)-2-oxoethyl]-5-fluoro-2-methyl-1H-indole-3-carboxamide
CID 110625091
5-fluoro-2-methyl-N-[1-(1-phenylethyl)piperidin-4-yl]-1H-indole-3-carboxamide
CID 13490832
1-(4-fluorophenyl)ethyl 2-methyl-5-propyl-1H-indole-3-carboxylate
CID 23393786
(E)-3-(6-fluoro-2-methyl-4-oxo-1H-quinolin-3-yl)-N-(4-fluorophenyl)but-2-enamide
CID 46739161

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-2-methyl-1H-indol-3-yl)-2-methylpropan-1-one?
The IUPAC name of 1-(5-fluoro-2-methyl-1H-indol-3-yl)-2-methylpropan-1-one (CID 82079500) is 1-(5-fluoro-2-methyl-1H-indol-3-yl)-2-methylpropan-1-one.
What is the SMILES notation for 1-(5-fluoro-2-methyl-1H-indol-3-yl)-2-methylpropan-1-one?
The canonical SMILES for 1-(5-fluoro-2-methyl-1H-indol-3-yl)-2-methylpropan-1-one is Cc1[nH]c2ccc(F)cc2c1C(=O)C(C)C.
What is the InChIKey of 1-(5-fluoro-2-methyl-1H-indol-3-yl)-2-methylpropan-1-one?
The InChIKey is YGNXBGBQBYZTNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FNO/c1-7(2)13(16)12-8(3)15-11-5-4-9(14)6-10(11)12/h4-7,15H,1-3H3.
What are the key properties of 1-(5-fluoro-2-methyl-1H-indol-3-yl)-2-methylpropan-1-one?
1-(5-fluoro-2-methyl-1H-indol-3-yl)-2-methylpropan-1-one has a molecular weight of 219.26 g/mol, XLogP of 3.45, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-2-methyl-1H-indol-3-yl)-2-methylpropan-1-one is sourced from PubChem (CID 82079500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).