3-fluoro-2-methyl-1-propan-2-ylindole

C12H14FN — CID 150270032

IUPAC3-fluoro-2-methyl-1-propan-2-ylindole
SMILESCc1c(F)c2ccccc2n1C(C)C
InChIInChI=1S/C12H14FN/c1-8(2)14-9(3)12(13)10-6-4-5-7-11(10)14/h4-8H,1-3H3
InChIKeyGDJIAJXWBUEZHH-UHFFFAOYSA-N
MW191.25 g/mol
LogP3.67
Rot. Bonds1

About 3-fluoro-2-methyl-1-propan-2-ylindole

3-fluoro-2-methyl-1-propan-2-ylindole (PubChem CID 150270032) has the molecular formula C12H14FN and a molecular weight of 191.25 g/mol. Its IUPAC name is 3-fluoro-2-methyl-1-propan-2-ylindole.

Molecular Properties

Compound Name3-fluoro-2-methyl-1-propan-2-ylindole
PubChem CID150270032
Molecular FormulaC12H14FN
Molecular Weight191.25 g/mol
Exact Mass191.11
IUPAC Name3-fluoro-2-methyl-1-propan-2-ylindole
SMILESCc1c(F)c2ccccc2n1C(C)C
InChIInChI=1S/C12H14FN/c1-8(2)14-9(3)12(13)10-6-4-5-7-11(10)14/h4-8H,1-3H3
InChIKeyGDJIAJXWBUEZHH-UHFFFAOYSA-N
XLogP3.67
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.25
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-iodo-2-methyl-1-propan-2-ylquinolin-4-one
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ethane;(2Z,4Z)-hexa-2,4-diene;9-propan-2-ylcarbazole
CID 165044718
2-fluoro-3-(2-methylphenyl)-1-propan-2-ylquinolin-4-one
CID 164522218
11-propan-2-ylbenzo[a]carbazole
CID 118058944
2-fluoro-1-propan-2-ylbenzimidazole
CID 141105255
2-carbazol-9-ylpropanedial
CID 174831236
2-(3-methyl-1-propan-2-ylindol-2-yl)acetic acid
CID 83860122
2,4-dimethyl-9-propan-2-ylcarbazol-3-amine
CID 11779995
1,3-di(propan-2-yl)benzimidazol-2-imine
CID 139205352
1,3-difluoroindol-2-ol
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9-(1-phenylethyl)carbazole
CID 154375313

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2-methyl-1-propan-2-ylindole?
The IUPAC name of 3-fluoro-2-methyl-1-propan-2-ylindole (CID 150270032) is 3-fluoro-2-methyl-1-propan-2-ylindole.
What is the SMILES notation for 3-fluoro-2-methyl-1-propan-2-ylindole?
The canonical SMILES for 3-fluoro-2-methyl-1-propan-2-ylindole is Cc1c(F)c2ccccc2n1C(C)C.
What is the InChIKey of 3-fluoro-2-methyl-1-propan-2-ylindole?
The InChIKey is GDJIAJXWBUEZHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FN/c1-8(2)14-9(3)12(13)10-6-4-5-7-11(10)14/h4-8H,1-3H3.
What are the key properties of 3-fluoro-2-methyl-1-propan-2-ylindole?
3-fluoro-2-methyl-1-propan-2-ylindole has a molecular weight of 191.25 g/mol, XLogP of 3.67, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-2-methyl-1-propan-2-ylindole is sourced from PubChem (CID 150270032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).