4-fluoro-5-propan-2-yl-2H-indole

C11H12FN — CID 159358624

IUPAC4-fluoro-5-propan-2-yl-2H-indole
SMILESCC(C)c1ccc2c(c1F)=CCN=2
InChIInChI=1S/C11H12FN/c1-7(2)8-3-4-10-9(11(8)12)5-6-13-10/h3-5,7H,6H2,1-2H3
InChIKeyUZXVIQYOPMJNSR-UHFFFAOYSA-N
MW177.22 g/mol
LogP1.36
Rot. Bonds1

About 4-fluoro-5-propan-2-yl-2H-indole

4-fluoro-5-propan-2-yl-2H-indole (PubChem CID 159358624) has the molecular formula C11H12FN and a molecular weight of 177.22 g/mol. Its IUPAC name is 4-fluoro-5-propan-2-yl-2H-indole.

Molecular Properties

Compound Name4-fluoro-5-propan-2-yl-2H-indole
PubChem CID159358624
Molecular FormulaC11H12FN
Molecular Weight177.22 g/mol
Exact Mass177.10
IUPAC Name4-fluoro-5-propan-2-yl-2H-indole
SMILESCC(C)c1ccc2c(c1F)=CCN=2
InChIInChI=1S/C11H12FN/c1-7(2)8-3-4-10-9(11(8)12)5-6-13-10/h3-5,7H,6H2,1-2H3
InChIKeyUZXVIQYOPMJNSR-UHFFFAOYSA-N
XLogP1.36
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.22
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2H-Indole
CID 19013146
2-Methylindol-2-ylium
CID 57054412
2-methyl-2H-indole
CID 58371059
Trimethyl 2h indol
CID 101318478
5-fluoro-2H-indole
CID 69725021
2-fluoro-2H-indole
CID 69725022
(3Z)-3-[(2Z)-4-fluoropenta-2,4-dienylidene]-6-methyl-2H-pyridine
CID 90145839
6-(Difluoromethyl)-5-ethenyl-3-ethyl-2,3-dihydropyridine
CID 90977674
7-Fluoro-3-methyl-2-prop-1-enyl-2,3-dihydroquinoline
CID 91172116
5-fluoro-6-propan-2-yl-2H-benzimidazole
CID 118410732
(3E,6Z)-9-ethenyl-4-fluoro-2,6,8-trimethyl-5,8-dihydro-2H-azonine
CID 126592408
(3Z)-3-[(2E)-2-fluorohexa-2,5-dienylidene]-6-methyl-2H-pyridine
CID 130413140

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-5-propan-2-yl-2H-indole?
The IUPAC name of 4-fluoro-5-propan-2-yl-2H-indole (CID 159358624) is 4-fluoro-5-propan-2-yl-2H-indole.
What is the SMILES notation for 4-fluoro-5-propan-2-yl-2H-indole?
The canonical SMILES for 4-fluoro-5-propan-2-yl-2H-indole is CC(C)c1ccc2c(c1F)=CCN=2.
What is the InChIKey of 4-fluoro-5-propan-2-yl-2H-indole?
The InChIKey is UZXVIQYOPMJNSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FN/c1-7(2)8-3-4-10-9(11(8)12)5-6-13-10/h3-5,7H,6H2,1-2H3.
What are the key properties of 4-fluoro-5-propan-2-yl-2H-indole?
4-fluoro-5-propan-2-yl-2H-indole has a molecular weight of 177.22 g/mol, XLogP of 1.36, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-5-propan-2-yl-2H-indole is sourced from PubChem (CID 159358624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).