2-methyl-1-[(2R)-2-methylbutyl]-4-(trifluoromethyl)benzene

C13H17F3 — CID 135135802

IUPAC2-methyl-1-[(2R)-2-methylbutyl]-4-(trifluoromethyl)benzene
SMILESCC[C@@H](C)Cc1ccc(C(F)(F)F)cc1C
InChIInChI=1S/C13H17F3/c1-4-9(2)7-11-5-6-12(8-10(11)3)13(14,15)16/h5-6,8-9H,4,7H2,1-3H3/t9-/m1/s1
InChIKeyCTONPIFXYORTNO-SECBINFHSA-N
MW230.27 g/mol
LogP4.60
Rot. Bonds3

About 2-methyl-1-[(2R)-2-methylbutyl]-4-(trifluoromethyl)benzene

2-methyl-1-[(2R)-2-methylbutyl]-4-(trifluoromethyl)benzene (PubChem CID 135135802) has the molecular formula C13H17F3 and a molecular weight of 230.27 g/mol. Its IUPAC name is 2-methyl-1-[(2R)-2-methylbutyl]-4-(trifluoromethyl)benzene.

Molecular Properties

Compound Name2-methyl-1-[(2R)-2-methylbutyl]-4-(trifluoromethyl)benzene
PubChem CID135135802
Molecular FormulaC13H17F3
Molecular Weight230.27 g/mol
Exact Mass230.13
IUPAC Name2-methyl-1-[(2R)-2-methylbutyl]-4-(trifluoromethyl)benzene
SMILESCC[C@@H](C)Cc1ccc(C(F)(F)F)cc1C
InChIInChI=1S/C13H17F3/c1-4-9(2)7-11-5-6-12(8-10(11)3)13(14,15)16/h5-6,8-9H,4,7H2,1-3H3/t9-/m1/s1
InChIKeyCTONPIFXYORTNO-SECBINFHSA-N
XLogP4.60
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

N-tert-butyl-2-methyl-3-[2-methyl-4-(trifluoromethyl)phenyl]propan-1-amine
CID 102756073
N-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]propan-2-amine
CID 102754125
1-(3-bromopentyl)-2-methyl-4-(trifluoromethyl)benzene
CID 102756185
1-methyl-2-[2-[2-methyl-4-(trifluoromethyl)phenyl]ethyl]-4-(trifluoromethyl)benzene
CID 123542451
(2S)-1-[2-methyl-5-(trifluoromethyl)phenyl]propan-2-amine
CID 70970416
2-methyl-N-(5-methylheptan-3-yl)-5-(trifluoromethyl)aniline
CID 66478749
1,2-dimethyl-4-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]-5-(trifluoromethyl)benzene
CID 143655992
1-(1-chloropropyl)-2-methyl-4-(trifluoromethyl)benzene
CID 130480328
3-[3-ethyl-4-(2-methylbutyl)phenyl]-2-methyl-4-(trifluoromethyl)pyridine
CID 146286861
1-(4-fluoro-2-methylphenyl)-4-methylhexan-2-amine
CID 105051172
2-methyl-1-(2-phenylethyl)-4-(trifluoromethyl)benzene
CID 91426393
[2-(2-methylpropyl)-4-(trifluoromethyl)phenyl]methanamine
CID 68512051

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[(2R)-2-methylbutyl]-4-(trifluoromethyl)benzene?
The IUPAC name of 2-methyl-1-[(2R)-2-methylbutyl]-4-(trifluoromethyl)benzene (CID 135135802) is 2-methyl-1-[(2R)-2-methylbutyl]-4-(trifluoromethyl)benzene.
What is the SMILES notation for 2-methyl-1-[(2R)-2-methylbutyl]-4-(trifluoromethyl)benzene?
The canonical SMILES for 2-methyl-1-[(2R)-2-methylbutyl]-4-(trifluoromethyl)benzene is CC[C@@H](C)Cc1ccc(C(F)(F)F)cc1C.
What is the InChIKey of 2-methyl-1-[(2R)-2-methylbutyl]-4-(trifluoromethyl)benzene?
The InChIKey is CTONPIFXYORTNO-SECBINFHSA-N. The full InChI is InChI=1S/C13H17F3/c1-4-9(2)7-11-5-6-12(8-10(11)3)13(14,15)16/h5-6,8-9H,4,7H2,1-3H3/t9-/m1/s1.
What are the key properties of 2-methyl-1-[(2R)-2-methylbutyl]-4-(trifluoromethyl)benzene?
2-methyl-1-[(2R)-2-methylbutyl]-4-(trifluoromethyl)benzene has a molecular weight of 230.27 g/mol, XLogP of 4.60, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[(2R)-2-methylbutyl]-4-(trifluoromethyl)benzene is sourced from PubChem (CID 135135802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).