(2S)-5-fluoro-2-[(1S)-1-(3-fluorophenyl)prop-2-enyl]-2,3-dihydro-1H-indole

C17H15F2N — CID 135034586

IUPAC(2S)-5-fluoro-2-[(1S)-1-(3-fluorophenyl)prop-2-enyl]-2,3-dihydro-1H-indole
SMILESC=C[C@@H](c1cccc(F)c1)[C@@H]1Cc2cc(F)ccc2N1
InChIInChI=1S/C17H15F2N/c1-2-15(11-4-3-5-13(18)8-11)17-10-12-9-14(19)6-7-16(12)20-17/h2-9,15,17,20H,1,10H2/t15-,17-/m0/s1
InChIKeyYPWQBPWUVBQHEO-RDJZCZTQSA-N
MW271.31 g/mol
LogP4.27
Rot. Bonds3

About (2S)-5-fluoro-2-[(1S)-1-(3-fluorophenyl)prop-2-enyl]-2,3-dihydro-1H-indole

(2S)-5-fluoro-2-[(1S)-1-(3-fluorophenyl)prop-2-enyl]-2,3-dihydro-1H-indole (PubChem CID 135034586) has the molecular formula C17H15F2N and a molecular weight of 271.31 g/mol. Its IUPAC name is (2S)-5-fluoro-2-[(1S)-1-(3-fluorophenyl)prop-2-enyl]-2,3-dihydro-1H-indole.

Molecular Properties

Compound Name(2S)-5-fluoro-2-[(1S)-1-(3-fluorophenyl)prop-2-enyl]-2,3-dihydro-1H-indole
PubChem CID135034586
Molecular FormulaC17H15F2N
Molecular Weight271.31 g/mol
Exact Mass271.12
IUPAC Name(2S)-5-fluoro-2-[(1S)-1-(3-fluorophenyl)prop-2-enyl]-2,3-dihydro-1H-indole
SMILESC=C[C@@H](c1cccc(F)c1)[C@@H]1Cc2cc(F)ccc2N1
InChIInChI=1S/C17H15F2N/c1-2-15(11-4-3-5-13(18)8-11)17-10-12-9-14(19)6-7-16(12)20-17/h2-9,15,17,20H,1,10H2/t15-,17-/m0/s1
InChIKeyYPWQBPWUVBQHEO-RDJZCZTQSA-N
XLogP4.27
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.31
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (2S)-5-fluoro-2-[(1S)-1-(3-fluorophenyl)prop-2-enyl]-2,3-dihydro-1H-indole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-fluoro-2-propan-2-yl-2,3-dihydro-1H-indole
CID 82276851
5-fluoro-2-prop-2-enyl-2,3-dihydro-1H-indole
CID 119086663
(2R,4S)-7-fluoro-2-[(E)-pent-1-enyl]-2,3,4,5-tetrahydro-1H-1-benzazepin-4-ol
CID 139062278
2-(difluoromethyl)-2,3-dihydro-1H-indol-5-ol
CID 84659924
6-fluoro-1,2,3,4-tetrahydroquinolin-3-ol
CID 83752604
(2S,3S)-2-ethyl-6-fluoro-3-methyl-1,2,3,4-tetrahydroquinoline
CID 42599529
(S)-(3-fluorophenyl)-[(2R,5R)-5-propylpyrrolidin-2-yl]methanol
CID 138473395
(R)-(3-fluorophenyl)-[(2S,5R)-5-propylpyrrolidin-2-yl]methanol;hydrochloride
CID 138473458
1,3-difluorobenzene;1,4-difluorobenzene
CID 159873588
1-(4-fluorophenyl)-N-[(1S)-1-(3-fluorophenyl)ethyl]ethanamine
CID 81364880
ethane;(3-fluorophenyl)-[(2S)-pyrrolidin-2-yl]methanol
CID 142546484
2,2-difluoro-1-(3-fluorophenyl)ethanamine
CID 79002278

Frequently Asked Questions

What is the IUPAC name of (2S)-5-fluoro-2-[(1S)-1-(3-fluorophenyl)prop-2-enyl]-2,3-dihydro-1H-indole?
The IUPAC name of (2S)-5-fluoro-2-[(1S)-1-(3-fluorophenyl)prop-2-enyl]-2,3-dihydro-1H-indole (CID 135034586) is (2S)-5-fluoro-2-[(1S)-1-(3-fluorophenyl)prop-2-enyl]-2,3-dihydro-1H-indole.
What is the SMILES notation for (2S)-5-fluoro-2-[(1S)-1-(3-fluorophenyl)prop-2-enyl]-2,3-dihydro-1H-indole?
The canonical SMILES for (2S)-5-fluoro-2-[(1S)-1-(3-fluorophenyl)prop-2-enyl]-2,3-dihydro-1H-indole is C=C[C@@H](c1cccc(F)c1)[C@@H]1Cc2cc(F)ccc2N1.
What is the InChIKey of (2S)-5-fluoro-2-[(1S)-1-(3-fluorophenyl)prop-2-enyl]-2,3-dihydro-1H-indole?
The InChIKey is YPWQBPWUVBQHEO-RDJZCZTQSA-N. The full InChI is InChI=1S/C17H15F2N/c1-2-15(11-4-3-5-13(18)8-11)17-10-12-9-14(19)6-7-16(12)20-17/h2-9,15,17,20H,1,10H2/t15-,17-/m0/s1.
What are the key properties of (2S)-5-fluoro-2-[(1S)-1-(3-fluorophenyl)prop-2-enyl]-2,3-dihydro-1H-indole?
(2S)-5-fluoro-2-[(1S)-1-(3-fluorophenyl)prop-2-enyl]-2,3-dihydro-1H-indole has a molecular weight of 271.31 g/mol, XLogP of 4.27, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-5-fluoro-2-[(1S)-1-(3-fluorophenyl)prop-2-enyl]-2,3-dihydro-1H-indole is sourced from PubChem (CID 135034586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).