1-butan-2-yl-5-chloro-4-fluoro-2,3-dihydroindole

C12H15ClFN — CID 67478358

IUPAC1-butan-2-yl-5-chloro-4-fluoro-2,3-dihydroindole
SMILESCCC(C)N1CCc2c1ccc(Cl)c2F
InChIInChI=1S/C12H15ClFN/c1-3-8(2)15-7-6-9-11(15)5-4-10(13)12(9)14/h4-5,8H,3,6-7H2,1-2H3
InChIKeyRNQSXAVCHULCHL-UHFFFAOYSA-N
MW227.71 g/mol
LogP3.64
Rot. Bonds2

About 1-butan-2-yl-5-chloro-4-fluoro-2,3-dihydroindole

1-butan-2-yl-5-chloro-4-fluoro-2,3-dihydroindole (PubChem CID 67478358) has the molecular formula C12H15ClFN and a molecular weight of 227.71 g/mol. Its IUPAC name is 1-butan-2-yl-5-chloro-4-fluoro-2,3-dihydroindole.

Molecular Properties

Compound Name1-butan-2-yl-5-chloro-4-fluoro-2,3-dihydroindole
PubChem CID67478358
Molecular FormulaC12H15ClFN
Molecular Weight227.71 g/mol
Exact Mass227.09
IUPAC Name1-butan-2-yl-5-chloro-4-fluoro-2,3-dihydroindole
SMILESCCC(C)N1CCc2c1ccc(Cl)c2F
InChIInChI=1S/C12H15ClFN/c1-3-8(2)15-7-6-9-11(15)5-4-10(13)12(9)14/h4-5,8H,3,6-7H2,1-2H3
InChIKeyRNQSXAVCHULCHL-UHFFFAOYSA-N
XLogP3.64
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.71
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-butan-2-yl-5-chloro-4-fluoro-2,3-dihydroindole?
The IUPAC name of 1-butan-2-yl-5-chloro-4-fluoro-2,3-dihydroindole (CID 67478358) is 1-butan-2-yl-5-chloro-4-fluoro-2,3-dihydroindole.
What is the SMILES notation for 1-butan-2-yl-5-chloro-4-fluoro-2,3-dihydroindole?
The canonical SMILES for 1-butan-2-yl-5-chloro-4-fluoro-2,3-dihydroindole is CCC(C)N1CCc2c1ccc(Cl)c2F.
What is the InChIKey of 1-butan-2-yl-5-chloro-4-fluoro-2,3-dihydroindole?
The InChIKey is RNQSXAVCHULCHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClFN/c1-3-8(2)15-7-6-9-11(15)5-4-10(13)12(9)14/h4-5,8H,3,6-7H2,1-2H3.
What are the key properties of 1-butan-2-yl-5-chloro-4-fluoro-2,3-dihydroindole?
1-butan-2-yl-5-chloro-4-fluoro-2,3-dihydroindole has a molecular weight of 227.71 g/mol, XLogP of 3.64, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butan-2-yl-5-chloro-4-fluoro-2,3-dihydroindole is sourced from PubChem (CID 67478358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).