5-fluoro-3-methyl-2-propan-2-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole

C12H22FN — CID 140573471

IUPAC5-fluoro-3-methyl-2-propan-2-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole
SMILESCC(C)C1NC2CCC(F)CC2C1C
InChIInChI=1S/C12H22FN/c1-7(2)12-8(3)10-6-9(13)4-5-11(10)14-12/h7-12,14H,4-6H2,1-3H3
InChIKeyMYLUCVSQHQCVNV-UHFFFAOYSA-N
MW199.31 g/mol
LogP2.76
Rot. Bonds1

About 5-fluoro-3-methyl-2-propan-2-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole

5-fluoro-3-methyl-2-propan-2-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole (PubChem CID 140573471) has the molecular formula C12H22FN and a molecular weight of 199.31 g/mol. Its IUPAC name is 5-fluoro-3-methyl-2-propan-2-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole.

Molecular Properties

Compound Name5-fluoro-3-methyl-2-propan-2-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole
PubChem CID140573471
Molecular FormulaC12H22FN
Molecular Weight199.31 g/mol
Exact Mass199.17
IUPAC Name5-fluoro-3-methyl-2-propan-2-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole
SMILESCC(C)C1NC2CCC(F)CC2C1C
InChIInChI=1S/C12H22FN/c1-7(2)12-8(3)10-6-9(13)4-5-11(10)14-12/h7-12,14H,4-6H2,1-3H3
InChIKeyMYLUCVSQHQCVNV-UHFFFAOYSA-N
XLogP2.76
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.31
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 5-fluoro-3-methyl-2-propan-2-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole with MolForge

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Related Compounds

2,3-dimethyl-5-propan-2-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole
CID 58030228
4-chloro-8-fluoro-2,3,4,4a,5,5a,6,7,8,9,9a,9b-dodecahydro-1H-pyrimido[5,4-b]indole
CID 170906328
3,4-di(propan-2-yl)-2-azabicyclo[3.1.0]hexane
CID 138601855
(1R)-1-fluoro-3-methylcyclopentane
CID 126671048
(1R,3R,5S)-2-fluoro-3-propan-2-yl-8-azabicyclo[3.2.1]octane
CID 135130423
2-fluoro-3-propan-2-yl-8-azabicyclo[3.2.1]octane
CID 135130430
4-fluoro-2-propan-2-ylpiperidine
CID 84762912
4-fluoro-2-propan-2-ylpiperidine;hydrochloride
CID 115016067
11-methyl-12-propan-2-ylbicyclo[8.2.0]dodecane
CID 91043765
2-ethyl-4-methyl-5-propan-2-ylpyrrolidin-3-ol
CID 21044341
5-fluoro-2,3,3a,4,5,6,7,7a-octahydro-1H-benzimidazole-2-carboxylic acid
CID 170906443
5-chloro-3-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carbaldehyde
CID 170905473

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-3-methyl-2-propan-2-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole?
The IUPAC name of 5-fluoro-3-methyl-2-propan-2-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole (CID 140573471) is 5-fluoro-3-methyl-2-propan-2-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole.
What is the SMILES notation for 5-fluoro-3-methyl-2-propan-2-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole?
The canonical SMILES for 5-fluoro-3-methyl-2-propan-2-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole is CC(C)C1NC2CCC(F)CC2C1C.
What is the InChIKey of 5-fluoro-3-methyl-2-propan-2-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole?
The InChIKey is MYLUCVSQHQCVNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22FN/c1-7(2)12-8(3)10-6-9(13)4-5-11(10)14-12/h7-12,14H,4-6H2,1-3H3.
What are the key properties of 5-fluoro-3-methyl-2-propan-2-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole?
5-fluoro-3-methyl-2-propan-2-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole has a molecular weight of 199.31 g/mol, XLogP of 2.76, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-3-methyl-2-propan-2-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole is sourced from PubChem (CID 140573471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).