(4S)-4-(5-fluoro-4,7-dihydro-1H-indol-2-yl)-4-phenylbutan-2-one

C18H18FNO — CID 135001048

IUPAC(4S)-4-(5-fluoro-4,7-dihydro-1H-indol-2-yl)-4-phenylbutan-2-one
SMILESCC(=O)C[C@@H](c1ccccc1)c1cc2c([nH]1)CC=C(F)C2
InChIInChI=1S/C18H18FNO/c1-12(21)9-16(13-5-3-2-4-6-13)18-11-14-10-15(19)7-8-17(14)20-18/h2-7,11,16,20H,8-10H2,1H3/t16-/m0/s1
InChIKeyCLUFUFRARXZBEQ-INIZCTEOSA-N
MW283.35 g/mol
LogP4.08
Rot. Bonds4

About (4S)-4-(5-fluoro-4,7-dihydro-1H-indol-2-yl)-4-phenylbutan-2-one

(4S)-4-(5-fluoro-4,7-dihydro-1H-indol-2-yl)-4-phenylbutan-2-one (PubChem CID 135001048) has the molecular formula C18H18FNO and a molecular weight of 283.35 g/mol. Its IUPAC name is (4S)-4-(5-fluoro-4,7-dihydro-1H-indol-2-yl)-4-phenylbutan-2-one.

Molecular Properties

Compound Name(4S)-4-(5-fluoro-4,7-dihydro-1H-indol-2-yl)-4-phenylbutan-2-one
PubChem CID135001048
Molecular FormulaC18H18FNO
Molecular Weight283.35 g/mol
Exact Mass283.14
IUPAC Name(4S)-4-(5-fluoro-4,7-dihydro-1H-indol-2-yl)-4-phenylbutan-2-one
SMILESCC(=O)C[C@@H](c1ccccc1)c1cc2c([nH]1)CC=C(F)C2
InChIInChI=1S/C18H18FNO/c1-12(21)9-16(13-5-3-2-4-6-13)18-11-14-10-15(19)7-8-17(14)20-18/h2-7,11,16,20H,8-10H2,1H3/t16-/m0/s1
InChIKeyCLUFUFRARXZBEQ-INIZCTEOSA-N
XLogP4.08
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.35
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (4S)-4-(5-fluoro-4,7-dihydro-1H-indol-2-yl)-4-phenylbutan-2-one with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (4S)-4-(5-fluoro-4,7-dihydro-1H-indol-2-yl)-4-phenylbutan-2-one?
The IUPAC name of (4S)-4-(5-fluoro-4,7-dihydro-1H-indol-2-yl)-4-phenylbutan-2-one (CID 135001048) is (4S)-4-(5-fluoro-4,7-dihydro-1H-indol-2-yl)-4-phenylbutan-2-one.
What is the SMILES notation for (4S)-4-(5-fluoro-4,7-dihydro-1H-indol-2-yl)-4-phenylbutan-2-one?
The canonical SMILES for (4S)-4-(5-fluoro-4,7-dihydro-1H-indol-2-yl)-4-phenylbutan-2-one is CC(=O)C[C@@H](c1ccccc1)c1cc2c([nH]1)CC=C(F)C2.
What is the InChIKey of (4S)-4-(5-fluoro-4,7-dihydro-1H-indol-2-yl)-4-phenylbutan-2-one?
The InChIKey is CLUFUFRARXZBEQ-INIZCTEOSA-N. The full InChI is InChI=1S/C18H18FNO/c1-12(21)9-16(13-5-3-2-4-6-13)18-11-14-10-15(19)7-8-17(14)20-18/h2-7,11,16,20H,8-10H2,1H3/t16-/m0/s1.
What are the key properties of (4S)-4-(5-fluoro-4,7-dihydro-1H-indol-2-yl)-4-phenylbutan-2-one?
(4S)-4-(5-fluoro-4,7-dihydro-1H-indol-2-yl)-4-phenylbutan-2-one has a molecular weight of 283.35 g/mol, XLogP of 4.08, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-(5-fluoro-4,7-dihydro-1H-indol-2-yl)-4-phenylbutan-2-one is sourced from PubChem (CID 135001048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).