5-fluoro-3-propan-2-yl-3-propyl-1,2-dihydroindole

C14H20FN — CID 106701934

IUPAC5-fluoro-3-propan-2-yl-3-propyl-1,2-dihydroindole
SMILESCCCC1(C(C)C)CNc2ccc(F)cc21
InChIInChI=1S/C14H20FN/c1-4-7-14(10(2)3)9-16-13-6-5-11(15)8-12(13)14/h5-6,8,10,16H,4,7,9H2,1-3H3
InChIKeyUPTJYQHQXSJEAT-UHFFFAOYSA-N
MW221.32 g/mol
LogP3.95
Rot. Bonds3

About 5-fluoro-3-propan-2-yl-3-propyl-1,2-dihydroindole

5-fluoro-3-propan-2-yl-3-propyl-1,2-dihydroindole (PubChem CID 106701934) has the molecular formula C14H20FN and a molecular weight of 221.32 g/mol. Its IUPAC name is 5-fluoro-3-propan-2-yl-3-propyl-1,2-dihydroindole.

Molecular Properties

Compound Name5-fluoro-3-propan-2-yl-3-propyl-1,2-dihydroindole
PubChem CID106701934
Molecular FormulaC14H20FN
Molecular Weight221.32 g/mol
Exact Mass221.16
IUPAC Name5-fluoro-3-propan-2-yl-3-propyl-1,2-dihydroindole
SMILESCCCC1(C(C)C)CNc2ccc(F)cc21
InChIInChI=1S/C14H20FN/c1-4-7-14(10(2)3)9-16-13-6-5-11(15)8-12(13)14/h5-6,8,10,16H,4,7,9H2,1-3H3
InChIKeyUPTJYQHQXSJEAT-UHFFFAOYSA-N
XLogP3.95
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 ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-3-propan-2-yl-3-propyl-1,2-dihydroindole?
The IUPAC name of 5-fluoro-3-propan-2-yl-3-propyl-1,2-dihydroindole (CID 106701934) is 5-fluoro-3-propan-2-yl-3-propyl-1,2-dihydroindole.
What is the SMILES notation for 5-fluoro-3-propan-2-yl-3-propyl-1,2-dihydroindole?
The canonical SMILES for 5-fluoro-3-propan-2-yl-3-propyl-1,2-dihydroindole is CCCC1(C(C)C)CNc2ccc(F)cc21.
What is the InChIKey of 5-fluoro-3-propan-2-yl-3-propyl-1,2-dihydroindole?
The InChIKey is UPTJYQHQXSJEAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FN/c1-4-7-14(10(2)3)9-16-13-6-5-11(15)8-12(13)14/h5-6,8,10,16H,4,7,9H2,1-3H3.
What are the key properties of 5-fluoro-3-propan-2-yl-3-propyl-1,2-dihydroindole?
5-fluoro-3-propan-2-yl-3-propyl-1,2-dihydroindole has a molecular weight of 221.32 g/mol, XLogP of 3.95, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-3-propan-2-yl-3-propyl-1,2-dihydroindole is sourced from PubChem (CID 106701934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).