5-fluoro-3-(4-methylpentan-2-yl)-2,3-dihydro-1H-indole

C14H20FN — CID 106985857

IUPAC5-fluoro-3-(4-methylpentan-2-yl)-2,3-dihydro-1H-indole
SMILESCC(C)CC(C)C1CNc2ccc(F)cc21
InChIInChI=1S/C14H20FN/c1-9(2)6-10(3)13-8-16-14-5-4-11(15)7-12(13)14/h4-5,7,9-10,13,16H,6,8H2,1-3H3
InChIKeyWURZEGLGJUFNHD-UHFFFAOYSA-N
MW221.32 g/mol
LogP4.02
Rot. Bonds3

About 5-fluoro-3-(4-methylpentan-2-yl)-2,3-dihydro-1H-indole

5-fluoro-3-(4-methylpentan-2-yl)-2,3-dihydro-1H-indole (PubChem CID 106985857) has the molecular formula C14H20FN and a molecular weight of 221.32 g/mol. Its IUPAC name is 5-fluoro-3-(4-methylpentan-2-yl)-2,3-dihydro-1H-indole.

Molecular Properties

Compound Name5-fluoro-3-(4-methylpentan-2-yl)-2,3-dihydro-1H-indole
PubChem CID106985857
Molecular FormulaC14H20FN
Molecular Weight221.32 g/mol
Exact Mass221.16
IUPAC Name5-fluoro-3-(4-methylpentan-2-yl)-2,3-dihydro-1H-indole
SMILESCC(C)CC(C)C1CNc2ccc(F)cc21
InChIInChI=1S/C14H20FN/c1-9(2)6-10(3)13-8-16-14-5-4-11(15)7-12(13)14/h4-5,7,9-10,13,16H,6,8H2,1-3H3
InChIKeyWURZEGLGJUFNHD-UHFFFAOYSA-N
XLogP4.02
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.32
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-3-(4-methylpentan-2-yl)-2,3-dihydro-1H-indole?
The IUPAC name of 5-fluoro-3-(4-methylpentan-2-yl)-2,3-dihydro-1H-indole (CID 106985857) is 5-fluoro-3-(4-methylpentan-2-yl)-2,3-dihydro-1H-indole.
What is the SMILES notation for 5-fluoro-3-(4-methylpentan-2-yl)-2,3-dihydro-1H-indole?
The canonical SMILES for 5-fluoro-3-(4-methylpentan-2-yl)-2,3-dihydro-1H-indole is CC(C)CC(C)C1CNc2ccc(F)cc21.
What is the InChIKey of 5-fluoro-3-(4-methylpentan-2-yl)-2,3-dihydro-1H-indole?
The InChIKey is WURZEGLGJUFNHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FN/c1-9(2)6-10(3)13-8-16-14-5-4-11(15)7-12(13)14/h4-5,7,9-10,13,16H,6,8H2,1-3H3.
What are the key properties of 5-fluoro-3-(4-methylpentan-2-yl)-2,3-dihydro-1H-indole?
5-fluoro-3-(4-methylpentan-2-yl)-2,3-dihydro-1H-indole has a molecular weight of 221.32 g/mol, XLogP of 4.02, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-3-(4-methylpentan-2-yl)-2,3-dihydro-1H-indole is sourced from PubChem (CID 106985857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).