5-fluoro-2-prop-2-enyl-2,3-dihydro-1H-indole

C11H12FN — CID 119086663

IUPAC5-fluoro-2-prop-2-enyl-2,3-dihydro-1H-indole
SMILESC=CCC1Cc2cc(F)ccc2N1
InChIInChI=1S/C11H12FN/c1-2-3-10-7-8-6-9(12)4-5-11(8)13-10/h2,4-6,10,13H,1,3,7H2
InChIKeyLCKLZPFTCDGXAJ-UHFFFAOYSA-N
MW177.22 g/mol
LogP2.74
Rot. Bonds2

About 5-fluoro-2-prop-2-enyl-2,3-dihydro-1H-indole

5-fluoro-2-prop-2-enyl-2,3-dihydro-1H-indole (PubChem CID 119086663) has the molecular formula C11H12FN and a molecular weight of 177.22 g/mol. Its IUPAC name is 5-fluoro-2-prop-2-enyl-2,3-dihydro-1H-indole.

Molecular Properties

Compound Name5-fluoro-2-prop-2-enyl-2,3-dihydro-1H-indole
PubChem CID119086663
Molecular FormulaC11H12FN
Molecular Weight177.22 g/mol
Exact Mass177.10
IUPAC Name5-fluoro-2-prop-2-enyl-2,3-dihydro-1H-indole
SMILESC=CCC1Cc2cc(F)ccc2N1
InChIInChI=1S/C11H12FN/c1-2-3-10-7-8-6-9(12)4-5-11(8)13-10/h2,4-6,10,13H,1,3,7H2
InChIKeyLCKLZPFTCDGXAJ-UHFFFAOYSA-N
XLogP2.74
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.22
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-prop-2-enyl-2,3-dihydro-1H-indol-5-ol
CID 102526168
(2R)-2-prop-2-enyl-2,3-dihydro-1H-indole
CID 1380957
5-fluoro-2-propan-2-yl-2,3-dihydro-1H-indole
CID 82276851
(2S,3S)-2-ethyl-6-fluoro-3-methyl-1,2,3,4-tetrahydroquinoline
CID 42599529
(2S)-5-fluoro-2-[(1S)-1-(3-fluorophenyl)prop-2-enyl]-2,3-dihydro-1H-indole
CID 135034586
5-fluoro-2-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-2,3-dihydro-1H-indole
CID 71229214
CID 101024891
CID 101024891
(2R,4S)-7-fluoro-2-[(E)-pent-1-enyl]-2,3,4,5-tetrahydro-1H-1-benzazepin-4-ol
CID 139062278
2-(5-methoxy-2,3-dihydro-1H-indol-2-yl)acetaldehyde
CID 112710978
(6-fluoro-1,2,3,4-tetrahydroquinolin-3-yl)methanamine
CID 82408944
[(2S)-5-bromo-2,3-dihydro-1H-indol-2-yl]methanol
CID 131181494
6-fluoro-1,2,3,4-tetrahydroquinolin-3-ol
CID 83752604

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-prop-2-enyl-2,3-dihydro-1H-indole?
The IUPAC name of 5-fluoro-2-prop-2-enyl-2,3-dihydro-1H-indole (CID 119086663) is 5-fluoro-2-prop-2-enyl-2,3-dihydro-1H-indole.
What is the SMILES notation for 5-fluoro-2-prop-2-enyl-2,3-dihydro-1H-indole?
The canonical SMILES for 5-fluoro-2-prop-2-enyl-2,3-dihydro-1H-indole is C=CCC1Cc2cc(F)ccc2N1.
What is the InChIKey of 5-fluoro-2-prop-2-enyl-2,3-dihydro-1H-indole?
The InChIKey is LCKLZPFTCDGXAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FN/c1-2-3-10-7-8-6-9(12)4-5-11(8)13-10/h2,4-6,10,13H,1,3,7H2.
What are the key properties of 5-fluoro-2-prop-2-enyl-2,3-dihydro-1H-indole?
5-fluoro-2-prop-2-enyl-2,3-dihydro-1H-indole has a molecular weight of 177.22 g/mol, XLogP of 2.74, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-prop-2-enyl-2,3-dihydro-1H-indole is sourced from PubChem (CID 119086663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).