[(2R)-4,4,4-trifluoro-2-methylbutyl]benzene

C11H13F3 — CID 173350029

IUPAC[(2R)-4,4,4-trifluoro-2-methylbutyl]benzene
SMILESC[C@H](Cc1ccccc1)CC(F)(F)F
InChIInChI=1S/C11H13F3/c1-9(8-11(12,13)14)7-10-5-3-2-4-6-10/h2-6,9H,7-8H2,1H3/t9-/m1/s1
InChIKeyJNJBQXUAGIUVGQ-SECBINFHSA-N
MW202.22 g/mol
LogP3.82
Rot. Bonds3

About [(2R)-4,4,4-trifluoro-2-methylbutyl]benzene

[(2R)-4,4,4-trifluoro-2-methylbutyl]benzene (PubChem CID 173350029) has the molecular formula C11H13F3 and a molecular weight of 202.22 g/mol. Its IUPAC name is [(2R)-4,4,4-trifluoro-2-methylbutyl]benzene.

Molecular Properties

Compound Name[(2R)-4,4,4-trifluoro-2-methylbutyl]benzene
PubChem CID173350029
Molecular FormulaC11H13F3
Molecular Weight202.22 g/mol
Exact Mass202.10
IUPAC Name[(2R)-4,4,4-trifluoro-2-methylbutyl]benzene
SMILESC[C@H](Cc1ccccc1)CC(F)(F)F
InChIInChI=1S/C11H13F3/c1-9(8-11(12,13)14)7-10-5-3-2-4-6-10/h2-6,9H,7-8H2,1H3/t9-/m1/s1
InChIKeyJNJBQXUAGIUVGQ-SECBINFHSA-N
XLogP3.82
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.22
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze [(2R)-4,4,4-trifluoro-2-methylbutyl]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

2-methyl-3-phenylpropan-1-amine
CID 12672558
ethane;2-methyl-3-phenylpropan-1-amine
CID 90796605
2-benzyl-4,4,4-trifluorobutan-1-ol
CID 121208196
2-methyl-3-phenylpropane-1-thiol
CID 19981761
4-[(1R,3R)-1-amino-1-hydroxy-3-methyl-4-phenylbutyl]phenol
CID 67671985
2-(trifluoromethylsulfanyl)propylbenzene
CID 102526857
dimethyl-(2-methyl-3-phenylpropyl)alumane
CID 19598535
ethane;2-methylpropylbenzene
CID 162200929
phenyl-(4,4,4-trifluoro-1-phenylbutan-2-yl)diazene
CID 132545724
potassium;1-phenylpropan-2-amine;iodide
CID 70390373
N-ethyl-1-phenyl-N-(trifluoromethyl)propan-2-amine
CID 154197554
[(2S,4R)-5-iodo-2,4-dimethylpentyl]benzene
CID 11001118

Frequently Asked Questions

What is the IUPAC name of [(2R)-4,4,4-trifluoro-2-methylbutyl]benzene?
The IUPAC name of [(2R)-4,4,4-trifluoro-2-methylbutyl]benzene (CID 173350029) is [(2R)-4,4,4-trifluoro-2-methylbutyl]benzene.
What is the SMILES notation for [(2R)-4,4,4-trifluoro-2-methylbutyl]benzene?
The canonical SMILES for [(2R)-4,4,4-trifluoro-2-methylbutyl]benzene is C[C@H](Cc1ccccc1)CC(F)(F)F.
What is the InChIKey of [(2R)-4,4,4-trifluoro-2-methylbutyl]benzene?
The InChIKey is JNJBQXUAGIUVGQ-SECBINFHSA-N. The full InChI is InChI=1S/C11H13F3/c1-9(8-11(12,13)14)7-10-5-3-2-4-6-10/h2-6,9H,7-8H2,1H3/t9-/m1/s1.
What are the key properties of [(2R)-4,4,4-trifluoro-2-methylbutyl]benzene?
[(2R)-4,4,4-trifluoro-2-methylbutyl]benzene has a molecular weight of 202.22 g/mol, XLogP of 3.82, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-4,4,4-trifluoro-2-methylbutyl]benzene is sourced from PubChem (CID 173350029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).