1-methyl-4-[1,1,1-trifluoro-2-(4-methylphenyl)butan-2-yl]benzene

C18H19F3 — CID 154521718

IUPAC1-methyl-4-[1,1,1-trifluoro-2-(4-methylphenyl)butan-2-yl]benzene
SMILESCCC(c1ccc(C)cc1)(c1ccc(C)cc1)C(F)(F)F
InChIInChI=1S/C18H19F3/c1-4-17(18(19,20)21,15-9-5-13(2)6-10-15)16-11-7-14(3)8-12-16/h5-12H,4H2,1-3H3
InChIKeyXQYIHOWHUWNXBK-UHFFFAOYSA-N
MW292.34 g/mol
LogP5.56
Rot. Bonds3

About 1-methyl-4-[1,1,1-trifluoro-2-(4-methylphenyl)butan-2-yl]benzene

1-methyl-4-[1,1,1-trifluoro-2-(4-methylphenyl)butan-2-yl]benzene (PubChem CID 154521718) has the molecular formula C18H19F3 and a molecular weight of 292.34 g/mol. Its IUPAC name is 1-methyl-4-[1,1,1-trifluoro-2-(4-methylphenyl)butan-2-yl]benzene.

Molecular Properties

Compound Name1-methyl-4-[1,1,1-trifluoro-2-(4-methylphenyl)butan-2-yl]benzene
PubChem CID154521718
Molecular FormulaC18H19F3
Molecular Weight292.34 g/mol
Exact Mass292.14
IUPAC Name1-methyl-4-[1,1,1-trifluoro-2-(4-methylphenyl)butan-2-yl]benzene
SMILESCCC(c1ccc(C)cc1)(c1ccc(C)cc1)C(F)(F)F
InChIInChI=1S/C18H19F3/c1-4-17(18(19,20)21,15-9-5-13(2)6-10-15)16-11-7-14(3)8-12-16/h5-12H,4H2,1-3H3
InChIKeyXQYIHOWHUWNXBK-UHFFFAOYSA-N
XLogP5.56
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500292.34
LogP ≤ 55.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

(2S)-2-fluoro-2-(4-methylphenyl)butan-1-amine
CID 129375642
1-methyl-4-(1,1,1-trifluoro-2-methylpentan-2-yl)benzene
CID 123349575
1-[difluoro-(4-methylphenyl)methyl]-4-methylbenzene
CID 14938913
1-[3,4-dimethyl-4-(4-methylphenyl)hexan-3-yl]-4-methylbenzene
CID 22277896
1-[dichloro(fluoro)methyl]-4-methylbenzene
CID 70232782
1-methyl-4-(trifluoromethyl)benzene bromide
CID 158317252
1-methyl-4-(4-methylphenyl)benzene;1-methyl-4-[1,1,1-trifluoro-2-(4-methylphenyl)propan-2-yl]benzene
CID 157463661
1-methyl-4-[2,2,2-trifluoro-1-iodo-1-(4-methylphenyl)ethyl]benzene
CID 144855908
1-methyl-4-[4-[4-[4-(trifluoromethyl)phenyl]phenyl]phenyl]benzene
CID 59630308
[difluoro-(4-methylphenyl)methyl]thallium
CID 153168176
ethane;2,2,2-trifluoro-1-(4-methylphenyl)ethane-1,1-diamine
CID 143325756
1,1-difluoro-2-(4-methylphenyl)butan-2-ol
CID 80605948

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[1,1,1-trifluoro-2-(4-methylphenyl)butan-2-yl]benzene?
The IUPAC name of 1-methyl-4-[1,1,1-trifluoro-2-(4-methylphenyl)butan-2-yl]benzene (CID 154521718) is 1-methyl-4-[1,1,1-trifluoro-2-(4-methylphenyl)butan-2-yl]benzene.
What is the SMILES notation for 1-methyl-4-[1,1,1-trifluoro-2-(4-methylphenyl)butan-2-yl]benzene?
The canonical SMILES for 1-methyl-4-[1,1,1-trifluoro-2-(4-methylphenyl)butan-2-yl]benzene is CCC(c1ccc(C)cc1)(c1ccc(C)cc1)C(F)(F)F.
What is the InChIKey of 1-methyl-4-[1,1,1-trifluoro-2-(4-methylphenyl)butan-2-yl]benzene?
The InChIKey is XQYIHOWHUWNXBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F3/c1-4-17(18(19,20)21,15-9-5-13(2)6-10-15)16-11-7-14(3)8-12-16/h5-12H,4H2,1-3H3.
What are the key properties of 1-methyl-4-[1,1,1-trifluoro-2-(4-methylphenyl)butan-2-yl]benzene?
1-methyl-4-[1,1,1-trifluoro-2-(4-methylphenyl)butan-2-yl]benzene has a molecular weight of 292.34 g/mol, XLogP of 5.56, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[1,1,1-trifluoro-2-(4-methylphenyl)butan-2-yl]benzene is sourced from PubChem (CID 154521718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).