1-methyl-4-[2-[3-(trifluoromethyl)phenyl]propyl]benzene

C17H17F3 — CID 91289654

IUPAC1-methyl-4-[2-[3-(trifluoromethyl)phenyl]propyl]benzene
SMILESCc1ccc(CC(C)c2cccc(C(F)(F)F)c2)cc1
InChIInChI=1S/C17H17F3/c1-12-6-8-14(9-7-12)10-13(2)15-4-3-5-16(11-15)17(18,19)20/h3-9,11,13H,10H2,1-2H3
InChIKeyVKFAHLFQYXVZJM-UHFFFAOYSA-N
MW278.32 g/mol
LogP5.36
Rot. Bonds3

About 1-methyl-4-[2-[3-(trifluoromethyl)phenyl]propyl]benzene

1-methyl-4-[2-[3-(trifluoromethyl)phenyl]propyl]benzene (PubChem CID 91289654) has the molecular formula C17H17F3 and a molecular weight of 278.32 g/mol. Its IUPAC name is 1-methyl-4-[2-[3-(trifluoromethyl)phenyl]propyl]benzene.

Molecular Properties

Compound Name1-methyl-4-[2-[3-(trifluoromethyl)phenyl]propyl]benzene
PubChem CID91289654
Molecular FormulaC17H17F3
Molecular Weight278.32 g/mol
Exact Mass278.13
IUPAC Name1-methyl-4-[2-[3-(trifluoromethyl)phenyl]propyl]benzene
SMILESCc1ccc(CC(C)c2cccc(C(F)(F)F)c2)cc1
InChIInChI=1S/C17H17F3/c1-12-6-8-14(9-7-12)10-13(2)15-4-3-5-16(11-15)17(18,19)20/h3-9,11,13H,10H2,1-2H3
InChIKeyVKFAHLFQYXVZJM-UHFFFAOYSA-N
XLogP5.36
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500278.32
LogP ≤ 55.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-(4-methylphenyl)-3-[3-(trifluoromethyl)phenyl]propan-2-ol
CID 62607876
1-(1-chloropropan-2-yl)-3-(trifluoromethyl)benzene
CID 12697049
3-(4-methylphenyl)-1-[3-(trifluoromethyl)phenyl]propan-1-amine
CID 105141503
1-(4-chloropentan-2-yl)-3-(trifluoromethyl)benzene
CID 64718796
4-[3-(trifluoromethyl)phenyl]pentan-2-ol
CID 64718997
(4-methylphenyl)-[3-(trifluoromethyl)phenyl]methanol
CID 60799413
1-methyl-4-[[3-(trifluoromethyl)phenyl]methyl]benzene
CID 122368794
1-tert-butyl-3-[1-(3-tert-butylphenyl)propan-2-yl]benzene
CID 101326643
1-propan-2-yl-3-[(2S)-2-[3-[2-[4-(trifluoromethyl)phenyl]propyl]phenyl]propyl]benzene
CID 178057958
N-methyl-4-[3-(trifluoromethyl)phenyl]pentan-2-amine
CID 64718532
(1S)-1-[3-(trifluoromethyl)phenyl]ethanamine
CID 7023585
2-(4-methylphenyl)sulfanyl-1-[3-(trifluoromethyl)phenyl]ethanamine
CID 64619482

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[2-[3-(trifluoromethyl)phenyl]propyl]benzene?
The IUPAC name of 1-methyl-4-[2-[3-(trifluoromethyl)phenyl]propyl]benzene (CID 91289654) is 1-methyl-4-[2-[3-(trifluoromethyl)phenyl]propyl]benzene.
What is the SMILES notation for 1-methyl-4-[2-[3-(trifluoromethyl)phenyl]propyl]benzene?
The canonical SMILES for 1-methyl-4-[2-[3-(trifluoromethyl)phenyl]propyl]benzene is Cc1ccc(CC(C)c2cccc(C(F)(F)F)c2)cc1.
What is the InChIKey of 1-methyl-4-[2-[3-(trifluoromethyl)phenyl]propyl]benzene?
The InChIKey is VKFAHLFQYXVZJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F3/c1-12-6-8-14(9-7-12)10-13(2)15-4-3-5-16(11-15)17(18,19)20/h3-9,11,13H,10H2,1-2H3.
What are the key properties of 1-methyl-4-[2-[3-(trifluoromethyl)phenyl]propyl]benzene?
1-methyl-4-[2-[3-(trifluoromethyl)phenyl]propyl]benzene has a molecular weight of 278.32 g/mol, XLogP of 5.36, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[2-[3-(trifluoromethyl)phenyl]propyl]benzene is sourced from PubChem (CID 91289654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).