1-(3-methylbutyl)-4-(trifluoromethoxy)benzene

C12H15F3O — CID 129296221

IUPAC1-(3-methylbutyl)-4-(trifluoromethoxy)benzene
SMILESCC(C)CCc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C12H15F3O/c1-9(2)3-4-10-5-7-11(8-6-10)16-12(13,14)15/h5-9H,3-4H2,1-2H3
InChIKeyMEFKULXCLJRGLF-UHFFFAOYSA-N
MW232.25 g/mol
LogP4.17
Rot. Bonds4

About 1-(3-methylbutyl)-4-(trifluoromethoxy)benzene

1-(3-methylbutyl)-4-(trifluoromethoxy)benzene (PubChem CID 129296221) has the molecular formula C12H15F3O and a molecular weight of 232.25 g/mol. Its IUPAC name is 1-(3-methylbutyl)-4-(trifluoromethoxy)benzene.

Molecular Properties

Compound Name1-(3-methylbutyl)-4-(trifluoromethoxy)benzene
PubChem CID129296221
Molecular FormulaC12H15F3O
Molecular Weight232.25 g/mol
Exact Mass232.11
IUPAC Name1-(3-methylbutyl)-4-(trifluoromethoxy)benzene
SMILESCC(C)CCc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C12H15F3O/c1-9(2)3-4-10-5-7-11(8-6-10)16-12(13,14)15/h5-9H,3-4H2,1-2H3
InChIKeyMEFKULXCLJRGLF-UHFFFAOYSA-N
XLogP4.17
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.25
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-[2-[4-(4-methylpentyl)cyclohexyl]ethyl]-4-[4-(trifluoromethoxy)phenyl]benzene
CID 19702564
N-(2-methylpropoxy)-1-[4-(trifluoromethoxy)phenyl]methanamine
CID 82709084
N-propan-2-yl-3-[4-(trifluoromethoxy)phenyl]propan-1-amine
CID 62528832
1-(2-phenylethyl)-4-(trifluoromethoxy)benzene
CID 91341581
1-(propan-2-yloxymethyl)-4-(trifluoromethoxy)benzene
CID 91726745
4-(3-methylbutyl)-2-(trifluoromethoxy)phenol
CID 123306584
4-methyl-1-[4-(trifluoromethoxy)phenyl]pentan-2-ol
CID 62606117
N-(4-methylpentyl)-4-(trifluoromethoxy)aniline
CID 83157081
3-[4-(trifluoromethoxy)phenyl]propan-1-amine
CID 43445791
3-methyl-1-[4-(trifluoromethoxy)phenyl]butan-2-one
CID 59159515
1-(3-bromo-2-methylpropyl)-4-(trifluoromethoxy)benzene
CID 66048084
4-methyl-1-[4-(trifluoromethoxy)phenyl]pentan-2-one
CID 62622266

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylbutyl)-4-(trifluoromethoxy)benzene?
The IUPAC name of 1-(3-methylbutyl)-4-(trifluoromethoxy)benzene (CID 129296221) is 1-(3-methylbutyl)-4-(trifluoromethoxy)benzene.
What is the SMILES notation for 1-(3-methylbutyl)-4-(trifluoromethoxy)benzene?
The canonical SMILES for 1-(3-methylbutyl)-4-(trifluoromethoxy)benzene is CC(C)CCc1ccc(OC(F)(F)F)cc1.
What is the InChIKey of 1-(3-methylbutyl)-4-(trifluoromethoxy)benzene?
The InChIKey is MEFKULXCLJRGLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3O/c1-9(2)3-4-10-5-7-11(8-6-10)16-12(13,14)15/h5-9H,3-4H2,1-2H3.
What are the key properties of 1-(3-methylbutyl)-4-(trifluoromethoxy)benzene?
1-(3-methylbutyl)-4-(trifluoromethoxy)benzene has a molecular weight of 232.25 g/mol, XLogP of 4.17, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylbutyl)-4-(trifluoromethoxy)benzene is sourced from PubChem (CID 129296221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).