1-(3-methyl-1-phenylpentan-2-yl)-2-(2,2,2-trifluoroethyl)benzene

C20H23F3 — CID 173340690

IUPAC1-(3-methyl-1-phenylpentan-2-yl)-2-(2,2,2-trifluoroethyl)benzene
SMILESCCC(C)C(Cc1ccccc1)c1ccccc1CC(F)(F)F
InChIInChI=1S/C20H23F3/c1-3-15(2)19(13-16-9-5-4-6-10-16)18-12-8-7-11-17(18)14-20(21,22)23/h4-12,15,19H,3,13-14H2,1-2H3
InChIKeyYEBIIKCPOOYPFB-UHFFFAOYSA-N
MW320.40 g/mol
LogP6.16
Rot. Bonds6

About 1-(3-methyl-1-phenylpentan-2-yl)-2-(2,2,2-trifluoroethyl)benzene

1-(3-methyl-1-phenylpentan-2-yl)-2-(2,2,2-trifluoroethyl)benzene (PubChem CID 173340690) has the molecular formula C20H23F3 and a molecular weight of 320.40 g/mol. Its IUPAC name is 1-(3-methyl-1-phenylpentan-2-yl)-2-(2,2,2-trifluoroethyl)benzene.

Molecular Properties

Compound Name1-(3-methyl-1-phenylpentan-2-yl)-2-(2,2,2-trifluoroethyl)benzene
PubChem CID173340690
Molecular FormulaC20H23F3
Molecular Weight320.40 g/mol
Exact Mass320.18
IUPAC Name1-(3-methyl-1-phenylpentan-2-yl)-2-(2,2,2-trifluoroethyl)benzene
SMILESCCC(C)C(Cc1ccccc1)c1ccccc1CC(F)(F)F
InChIInChI=1S/C20H23F3/c1-3-15(2)19(13-16-9-5-4-6-10-16)18-12-8-7-11-17(18)14-20(21,22)23/h4-12,15,19H,3,13-14H2,1-2H3
InChIKeyYEBIIKCPOOYPFB-UHFFFAOYSA-N
XLogP6.16
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.40
LogP ≤ 56.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 1-(3-methyl-1-phenylpentan-2-yl)-2-(2,2,2-trifluoroethyl)benzene 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

1-(2,2,2-trifluoroethyl)-2-(1,1,1-trifluoro-3-phenylpropan-2-yl)benzene
CID 91450508
1-benzyl-2-tert-butyl-3-(3-methyl-1-phenylpentan-2-yl)benzene
CID 173254027
1-(3-methyl-1-phenylbutan-2-yl)-2-(2,2,2-trichloroethyl)benzene
CID 173340644
(2R)-2-benzyl-3-methylpentan-1-ol
CID 15214035
1-benzyl-2-(1-phenylbutan-2-yl)benzene
CID 173399108
(2-ethyl-3,3-difluoropentyl)benzene
CID 171834492
1-[2-(2,2,2-trifluoroethyl)phenyl]propan-2-amine
CID 84724008
1-(2-ethoxypropan-2-yl)-2-(2,2,2-trifluoroethyl)benzene
CID 142491564
[(2R)-4,4,4-trifluoro-2-methylbutyl]benzene
CID 173350029
ethane;2,2,2-trifluoroethylbenzene
CID 142152613
(2-ethyl-3,3-difluoropentyl)benzene;propane
CID 171834491
[(2S)-2-ethyl-3-methylbutyl]benzene
CID 59911229

Frequently Asked Questions

What is the IUPAC name of 1-(3-methyl-1-phenylpentan-2-yl)-2-(2,2,2-trifluoroethyl)benzene?
The IUPAC name of 1-(3-methyl-1-phenylpentan-2-yl)-2-(2,2,2-trifluoroethyl)benzene (CID 173340690) is 1-(3-methyl-1-phenylpentan-2-yl)-2-(2,2,2-trifluoroethyl)benzene.
What is the SMILES notation for 1-(3-methyl-1-phenylpentan-2-yl)-2-(2,2,2-trifluoroethyl)benzene?
The canonical SMILES for 1-(3-methyl-1-phenylpentan-2-yl)-2-(2,2,2-trifluoroethyl)benzene is CCC(C)C(Cc1ccccc1)c1ccccc1CC(F)(F)F.
What is the InChIKey of 1-(3-methyl-1-phenylpentan-2-yl)-2-(2,2,2-trifluoroethyl)benzene?
The InChIKey is YEBIIKCPOOYPFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23F3/c1-3-15(2)19(13-16-9-5-4-6-10-16)18-12-8-7-11-17(18)14-20(21,22)23/h4-12,15,19H,3,13-14H2,1-2H3.
What are the key properties of 1-(3-methyl-1-phenylpentan-2-yl)-2-(2,2,2-trifluoroethyl)benzene?
1-(3-methyl-1-phenylpentan-2-yl)-2-(2,2,2-trifluoroethyl)benzene has a molecular weight of 320.40 g/mol, XLogP of 6.16, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methyl-1-phenylpentan-2-yl)-2-(2,2,2-trifluoroethyl)benzene is sourced from PubChem (CID 173340690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).