1-methyl-2-(4,4,4-trifluoro-2-methoxybutan-2-yl)benzene

C12H15F3O — CID 156764554

IUPAC1-methyl-2-(4,4,4-trifluoro-2-methoxybutan-2-yl)benzene
SMILESCOC(C)(CC(F)(F)F)c1ccccc1C
InChIInChI=1S/C12H15F3O/c1-9-6-4-5-7-10(9)11(2,16-3)8-12(13,14)15/h4-7H,8H2,1-3H3
InChIKeyNYMDOCQBWKDGDP-UHFFFAOYSA-N
MW232.25 g/mol
LogP3.81
Rot. Bonds3

About 1-methyl-2-(4,4,4-trifluoro-2-methoxybutan-2-yl)benzene

1-methyl-2-(4,4,4-trifluoro-2-methoxybutan-2-yl)benzene (PubChem CID 156764554) has the molecular formula C12H15F3O and a molecular weight of 232.25 g/mol. Its IUPAC name is 1-methyl-2-(4,4,4-trifluoro-2-methoxybutan-2-yl)benzene.

Molecular Properties

Compound Name1-methyl-2-(4,4,4-trifluoro-2-methoxybutan-2-yl)benzene
PubChem CID156764554
Molecular FormulaC12H15F3O
Molecular Weight232.25 g/mol
Exact Mass232.11
IUPAC Name1-methyl-2-(4,4,4-trifluoro-2-methoxybutan-2-yl)benzene
SMILESCOC(C)(CC(F)(F)F)c1ccccc1C
InChIInChI=1S/C12H15F3O/c1-9-6-4-5-7-10(9)11(2,16-3)8-12(13,14)15/h4-7H,8H2,1-3H3
InChIKeyNYMDOCQBWKDGDP-UHFFFAOYSA-N
XLogP3.81
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 ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-butoxy-2-(4,4,4-trifluoro-2-methoxybutan-2-yl)benzene
CID 156765584
3-methoxy-3-(2-methylphenyl)butan-1-amine
CID 105447487
1-butyl-2-[4,5,5,5-tetrafluoro-2-methoxy-4-(trifluoromethyl)pentan-2-yl]benzene
CID 156764039
1-methoxy-4-(4,4,4-trifluoro-2-methoxybutan-2-yl)benzene
CID 156763397
N,N-diethyl-2-[4,5,5,5-tetrafluoro-2-methoxy-4-(trifluoromethyl)pentan-2-yl]aniline
CID 156764657
1-(4,4,5,5,6,6,6-heptafluoro-2-methoxyhexan-2-yl)-2-propan-2-ylbenzene
CID 156765928
1-methoxy-2-(4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-pentadecafluoro-2-methoxydecan-2-yl)benzene
CID 156765653
1-chloro-2-(4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-pentadecafluoro-2-methoxydecan-2-yl)benzene
CID 156764253
1-iodo-2-(4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluoro-2-methoxynonan-2-yl)benzene
CID 156765217
ethyl 2-[4,5,5,5-tetrafluoro-2-methoxy-4-(trifluoromethyl)pentan-2-yl]benzoate
CID 156763938
1-(1-fluoro-1-iodoethyl)-2-methylbenzene
CID 170359847
1-[1-[1,1-bis(2-methylphenyl)ethoxy]-1-(2-methylphenyl)ethyl]-2-methylbenzene
CID 67863752

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-(4,4,4-trifluoro-2-methoxybutan-2-yl)benzene?
The IUPAC name of 1-methyl-2-(4,4,4-trifluoro-2-methoxybutan-2-yl)benzene (CID 156764554) is 1-methyl-2-(4,4,4-trifluoro-2-methoxybutan-2-yl)benzene.
What is the SMILES notation for 1-methyl-2-(4,4,4-trifluoro-2-methoxybutan-2-yl)benzene?
The canonical SMILES for 1-methyl-2-(4,4,4-trifluoro-2-methoxybutan-2-yl)benzene is COC(C)(CC(F)(F)F)c1ccccc1C.
What is the InChIKey of 1-methyl-2-(4,4,4-trifluoro-2-methoxybutan-2-yl)benzene?
The InChIKey is NYMDOCQBWKDGDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3O/c1-9-6-4-5-7-10(9)11(2,16-3)8-12(13,14)15/h4-7H,8H2,1-3H3.
What are the key properties of 1-methyl-2-(4,4,4-trifluoro-2-methoxybutan-2-yl)benzene?
1-methyl-2-(4,4,4-trifluoro-2-methoxybutan-2-yl)benzene has a molecular weight of 232.25 g/mol, XLogP of 3.81, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-(4,4,4-trifluoro-2-methoxybutan-2-yl)benzene is sourced from PubChem (CID 156764554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).