1-(3-fluoroprop-2-enyl)-2,3-dihydroindole

C11H12FN — CID 175249463

IUPAC1-(3-fluoroprop-2-enyl)-2,3-dihydroindole
SMILESFC=CCN1CCc2ccccc21
InChIInChI=1S/C11H12FN/c12-7-3-8-13-9-6-10-4-1-2-5-11(10)13/h1-5,7H,6,8-9H2
InChIKeyWZEQYDFUVUZOBQ-UHFFFAOYSA-N
MW177.22 g/mol
LogP2.53
Rot. Bonds2

About 1-(3-fluoroprop-2-enyl)-2,3-dihydroindole

1-(3-fluoroprop-2-enyl)-2,3-dihydroindole (PubChem CID 175249463) has the molecular formula C11H12FN and a molecular weight of 177.22 g/mol. Its IUPAC name is 1-(3-fluoroprop-2-enyl)-2,3-dihydroindole.

Molecular Properties

Compound Name1-(3-fluoroprop-2-enyl)-2,3-dihydroindole
PubChem CID175249463
Molecular FormulaC11H12FN
Molecular Weight177.22 g/mol
Exact Mass177.10
IUPAC Name1-(3-fluoroprop-2-enyl)-2,3-dihydroindole
SMILESFC=CCN1CCc2ccccc21
InChIInChI=1S/C11H12FN/c12-7-3-8-13-9-6-10-4-1-2-5-11(10)13/h1-5,7H,6,8-9H2
InChIKeyWZEQYDFUVUZOBQ-UHFFFAOYSA-N
XLogP2.53
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.22
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-chlorobut-2-enyl)-3,4-dihydro-2H-quinoline
CID 77051840
1-(chloromethyl)-2,3-dihydroindole
CID 59108457
1-(2-iodoethyl)-2,3-dihydroindole
CID 131082836
2-(2,3-dihydroindol-1-yl)ethanamine
CID 1072384
2-(2,3-dihydroindol-1-yl)ethanol;hydrochloride
CID 169005265
1-[(4-bromophenyl)methyl]-2,3-dihydroindole
CID 22199835
(E)-4-(6-fluoro-2,3-dihydroindol-1-yl)but-2-en-1-amine
CID 103495908
1-butyl-2,3-dihydroindole
CID 4167209
2,3-dihydroindol-1-ylmethylphosphonic acid
CID 53215241
3-(2,3-dihydroindol-1-yl)-2,2-dimethylpropanal
CID 62277118
1-(2-methylprop-2-enyl)-2,3-dihydroindole
CID 15723561
1-(3-methylbutyl)-2,3-dihydroindole
CID 143815180

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoroprop-2-enyl)-2,3-dihydroindole?
The IUPAC name of 1-(3-fluoroprop-2-enyl)-2,3-dihydroindole (CID 175249463) is 1-(3-fluoroprop-2-enyl)-2,3-dihydroindole.
What is the SMILES notation for 1-(3-fluoroprop-2-enyl)-2,3-dihydroindole?
The canonical SMILES for 1-(3-fluoroprop-2-enyl)-2,3-dihydroindole is FC=CCN1CCc2ccccc21.
What is the InChIKey of 1-(3-fluoroprop-2-enyl)-2,3-dihydroindole?
The InChIKey is WZEQYDFUVUZOBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FN/c12-7-3-8-13-9-6-10-4-1-2-5-11(10)13/h1-5,7H,6,8-9H2.
What are the key properties of 1-(3-fluoroprop-2-enyl)-2,3-dihydroindole?
1-(3-fluoroprop-2-enyl)-2,3-dihydroindole has a molecular weight of 177.22 g/mol, XLogP of 2.53, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoroprop-2-enyl)-2,3-dihydroindole is sourced from PubChem (CID 175249463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).