[(2S)-1,1,1-trifluoro-2-methoxy-3-methylbutan-2-yl]benzene

C12H15F3O — CID 59192872

IUPAC[(2S)-1,1,1-trifluoro-2-methoxy-3-methylbutan-2-yl]benzene
SMILESCO[C@](c1ccccc1)(C(C)C)C(F)(F)F
InChIInChI=1S/C12H15F3O/c1-9(2)11(16-3,12(13,14)15)10-7-5-4-6-8-10/h4-9H,1-3H3/t11-/m0/s1
InChIKeyAMEVRFPYXGHHCW-NSHDSACASA-N
MW232.25 g/mol
LogP3.75
Rot. Bonds3

About [(2S)-1,1,1-trifluoro-2-methoxy-3-methylbutan-2-yl]benzene

[(2S)-1,1,1-trifluoro-2-methoxy-3-methylbutan-2-yl]benzene (PubChem CID 59192872) has the molecular formula C12H15F3O and a molecular weight of 232.25 g/mol. Its IUPAC name is [(2S)-1,1,1-trifluoro-2-methoxy-3-methylbutan-2-yl]benzene.

Molecular Properties

Compound Name[(2S)-1,1,1-trifluoro-2-methoxy-3-methylbutan-2-yl]benzene
PubChem CID59192872
Molecular FormulaC12H15F3O
Molecular Weight232.25 g/mol
Exact Mass232.11
IUPAC Name[(2S)-1,1,1-trifluoro-2-methoxy-3-methylbutan-2-yl]benzene
SMILESCO[C@](c1ccccc1)(C(C)C)C(F)(F)F
InChIInChI=1S/C12H15F3O/c1-9(2)11(16-3,12(13,14)15)10-7-5-4-6-8-10/h4-9H,1-3H3/t11-/m0/s1
InChIKeyAMEVRFPYXGHHCW-NSHDSACASA-N
XLogP3.75
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.25
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze [(2S)-1,1,1-trifluoro-2-methoxy-3-methylbutan-2-yl]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

Benzyl ethyl ether
CID 10873
Benzyl methyl ether
CID 10869
Benzyl octyl ether
CID 347508
2-Methyl-2-phenyloxirane
CID 16398
Benzene, (1-ethoxyethyl)-
CID 18693
Isoamyl benzyl ether
CID 31227
Methyl trityl ether
CID 136388
Benzenemethanol, alpha,alpha-dimethyl-, 1-acetate
CID 76963
2H-Pyran, 3,6-dihydro-4-methyl-2-phenyl-
CID 108443
2H-Pyran, tetrahydro-2-methyl-4-methylene-6-phenyl-
CID 121777
2H-Pyran, tetrahydro-4-methyl-2-phenyl-, (2R,4S)-rel-
CID 15640305
1-(2-Methoxypropan-2-yl)-4-methylbenzene
CID 14121774

Frequently Asked Questions

What is the IUPAC name of [(2S)-1,1,1-trifluoro-2-methoxy-3-methylbutan-2-yl]benzene?
The IUPAC name of [(2S)-1,1,1-trifluoro-2-methoxy-3-methylbutan-2-yl]benzene (CID 59192872) is [(2S)-1,1,1-trifluoro-2-methoxy-3-methylbutan-2-yl]benzene.
What is the SMILES notation for [(2S)-1,1,1-trifluoro-2-methoxy-3-methylbutan-2-yl]benzene?
The canonical SMILES for [(2S)-1,1,1-trifluoro-2-methoxy-3-methylbutan-2-yl]benzene is CO[C@](c1ccccc1)(C(C)C)C(F)(F)F.
What is the InChIKey of [(2S)-1,1,1-trifluoro-2-methoxy-3-methylbutan-2-yl]benzene?
The InChIKey is AMEVRFPYXGHHCW-NSHDSACASA-N. The full InChI is InChI=1S/C12H15F3O/c1-9(2)11(16-3,12(13,14)15)10-7-5-4-6-8-10/h4-9H,1-3H3/t11-/m0/s1.
What are the key properties of [(2S)-1,1,1-trifluoro-2-methoxy-3-methylbutan-2-yl]benzene?
[(2S)-1,1,1-trifluoro-2-methoxy-3-methylbutan-2-yl]benzene has a molecular weight of 232.25 g/mol, XLogP of 3.75, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1,1,1-trifluoro-2-methoxy-3-methylbutan-2-yl]benzene is sourced from PubChem (CID 59192872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).