(3R)-4,4,4-trifluoro-3-(1-methylindol-3-yl)-1-phenylbutan-1-one

C19H16F3NO — CID 134946604

IUPAC(3R)-4,4,4-trifluoro-3-(1-methylindol-3-yl)-1-phenylbutan-1-one
SMILESCn1cc([C@@H](CC(=O)c2ccccc2)C(F)(F)F)c2ccccc21
InChIInChI=1S/C19H16F3NO/c1-23-12-15(14-9-5-6-10-17(14)23)16(19(20,21)22)11-18(24)13-7-3-2-4-8-13/h2-10,12,16H,11H2,1H3/t16-/m1/s1
InChIKeyYOQWKDMJCGFVMH-MRXNPFEDSA-N
MW331.34 g/mol
LogP5.10
Rot. Bonds4

About (3R)-4,4,4-trifluoro-3-(1-methylindol-3-yl)-1-phenylbutan-1-one

(3R)-4,4,4-trifluoro-3-(1-methylindol-3-yl)-1-phenylbutan-1-one (PubChem CID 134946604) has the molecular formula C19H16F3NO and a molecular weight of 331.34 g/mol. Its IUPAC name is (3R)-4,4,4-trifluoro-3-(1-methylindol-3-yl)-1-phenylbutan-1-one.

Molecular Properties

Compound Name(3R)-4,4,4-trifluoro-3-(1-methylindol-3-yl)-1-phenylbutan-1-one
PubChem CID134946604
Molecular FormulaC19H16F3NO
Molecular Weight331.34 g/mol
Exact Mass331.12
IUPAC Name(3R)-4,4,4-trifluoro-3-(1-methylindol-3-yl)-1-phenylbutan-1-one
SMILESCn1cc([C@@H](CC(=O)c2ccccc2)C(F)(F)F)c2ccccc21
InChIInChI=1S/C19H16F3NO/c1-23-12-15(14-9-5-6-10-17(14)23)16(19(20,21)22)11-18(24)13-7-3-2-4-8-13/h2-10,12,16H,11H2,1H3/t16-/m1/s1
InChIKeyYOQWKDMJCGFVMH-MRXNPFEDSA-N
XLogP5.10
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500331.34
LogP ≤ 55.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (3R)-4,4,4-trifluoro-3-(1-methylindol-3-yl)-1-phenylbutan-1-one 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

Jwh 018
CID 10382701
(1-Butyl-1H-indol-3-yl)-1-naphthalenylmethanone
CID 10471670
Xlr 11
CID 57501498
Jwh 015
CID 4273754
Jwh 122
CID 44466638
(4-Ethyl-1-naphthalenyl)(1-pentyl-1H-indol-3-yl)methanone
CID 45270396
AM 2201
CID 53393997
(1-pentyl-1H-indol-3-yl)(2,2,3,3-tetramethylcyclopropyl)methanone
CID 44626619
AM-694
CID 9889172
Jwh 307
CID 16049783
Jwh 203
CID 44397500
AM-1220, (+-)-
CID 9929889

Frequently Asked Questions

What is the IUPAC name of (3R)-4,4,4-trifluoro-3-(1-methylindol-3-yl)-1-phenylbutan-1-one?
The IUPAC name of (3R)-4,4,4-trifluoro-3-(1-methylindol-3-yl)-1-phenylbutan-1-one (CID 134946604) is (3R)-4,4,4-trifluoro-3-(1-methylindol-3-yl)-1-phenylbutan-1-one.
What is the SMILES notation for (3R)-4,4,4-trifluoro-3-(1-methylindol-3-yl)-1-phenylbutan-1-one?
The canonical SMILES for (3R)-4,4,4-trifluoro-3-(1-methylindol-3-yl)-1-phenylbutan-1-one is Cn1cc([C@@H](CC(=O)c2ccccc2)C(F)(F)F)c2ccccc21.
What is the InChIKey of (3R)-4,4,4-trifluoro-3-(1-methylindol-3-yl)-1-phenylbutan-1-one?
The InChIKey is YOQWKDMJCGFVMH-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H16F3NO/c1-23-12-15(14-9-5-6-10-17(14)23)16(19(20,21)22)11-18(24)13-7-3-2-4-8-13/h2-10,12,16H,11H2,1H3/t16-/m1/s1.
What are the key properties of (3R)-4,4,4-trifluoro-3-(1-methylindol-3-yl)-1-phenylbutan-1-one?
(3R)-4,4,4-trifluoro-3-(1-methylindol-3-yl)-1-phenylbutan-1-one has a molecular weight of 331.34 g/mol, XLogP of 5.10, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-4,4,4-trifluoro-3-(1-methylindol-3-yl)-1-phenylbutan-1-one is sourced from PubChem (CID 134946604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).