1,2-dimethyl-3-[1-[4-(trifluoromethyl)phenyl]ethyl]benzene

C17H17F3 — CID 134982830

IUPAC1,2-dimethyl-3-[1-[4-(trifluoromethyl)phenyl]ethyl]benzene
SMILESCc1cccc(C(C)c2ccc(C(F)(F)F)cc2)c1C
InChIInChI=1S/C17H17F3/c1-11-5-4-6-16(12(11)2)13(3)14-7-9-15(10-8-14)17(18,19)20/h4-10,13H,1-3H3
InChIKeyHDONIEQHWAUVEF-UHFFFAOYSA-N
MW278.32 g/mol
LogP5.47
Rot. Bonds2

About 1,2-dimethyl-3-[1-[4-(trifluoromethyl)phenyl]ethyl]benzene

1,2-dimethyl-3-[1-[4-(trifluoromethyl)phenyl]ethyl]benzene (PubChem CID 134982830) has the molecular formula C17H17F3 and a molecular weight of 278.32 g/mol. Its IUPAC name is 1,2-dimethyl-3-[1-[4-(trifluoromethyl)phenyl]ethyl]benzene.

Molecular Properties

Compound Name1,2-dimethyl-3-[1-[4-(trifluoromethyl)phenyl]ethyl]benzene
PubChem CID134982830
Molecular FormulaC17H17F3
Molecular Weight278.32 g/mol
Exact Mass278.13
IUPAC Name1,2-dimethyl-3-[1-[4-(trifluoromethyl)phenyl]ethyl]benzene
SMILESCc1cccc(C(C)c2ccc(C(F)(F)F)cc2)c1C
InChIInChI=1S/C17H17F3/c1-11-5-4-6-16(12(11)2)13(3)14-7-9-15(10-8-14)17(18,19)20/h4-10,13H,1-3H3
InChIKeyHDONIEQHWAUVEF-UHFFFAOYSA-N
XLogP5.47
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500278.32
LogP ≤ 55.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

(2,3-dimethylphenyl)-[4-(trifluoromethyl)phenyl]methanol
CID 63895822
1,2,3,4,5-pentamethyl-6-[1-[4-(trifluoromethyl)phenyl]ethyl]benzene
CID 132573650
(2,3-dimethylphenyl)-[2-methyl-4-(trifluoromethyl)phenyl]methanol
CID 102751424
1-[1-(3,4-dimethylphenyl)ethyl]-2,3-dimethylbenzene;ethane
CID 141181995
2-[1-(2,3-dimethylphenyl)ethyl]-1-[[4-(trifluoromethyl)phenyl]methyl]imidazole
CID 24739410
1,2-dimethyl-3-[1-(3-methylphenyl)ethyl]benzene
CID 134995374
O-[(1S)-1-[4-(trifluoromethyl)phenyl]ethyl]hydroxylamine
CID 11805842
1,3-dimethyl-2-[1-[2-(1-phenylethyl)phenyl]ethyl]benzene
CID 3024109
2-methyl-1,3-bis(1-phenylethyl)benzene
CID 58862393
1-(2,3-dimethylphenyl)-N-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]methanamine
CID 105140563
1-[(1S)-1-methoxyethyl]-4-(trifluoromethyl)benzene
CID 71379545
(1S)-1-(2,3-dimethylphenyl)-2,2,2-trifluoroethanamine;hydrochloride
CID 159492909

Frequently Asked Questions

What is the IUPAC name of 1,2-dimethyl-3-[1-[4-(trifluoromethyl)phenyl]ethyl]benzene?
The IUPAC name of 1,2-dimethyl-3-[1-[4-(trifluoromethyl)phenyl]ethyl]benzene (CID 134982830) is 1,2-dimethyl-3-[1-[4-(trifluoromethyl)phenyl]ethyl]benzene.
What is the SMILES notation for 1,2-dimethyl-3-[1-[4-(trifluoromethyl)phenyl]ethyl]benzene?
The canonical SMILES for 1,2-dimethyl-3-[1-[4-(trifluoromethyl)phenyl]ethyl]benzene is Cc1cccc(C(C)c2ccc(C(F)(F)F)cc2)c1C.
What is the InChIKey of 1,2-dimethyl-3-[1-[4-(trifluoromethyl)phenyl]ethyl]benzene?
The InChIKey is HDONIEQHWAUVEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F3/c1-11-5-4-6-16(12(11)2)13(3)14-7-9-15(10-8-14)17(18,19)20/h4-10,13H,1-3H3.
What are the key properties of 1,2-dimethyl-3-[1-[4-(trifluoromethyl)phenyl]ethyl]benzene?
1,2-dimethyl-3-[1-[4-(trifluoromethyl)phenyl]ethyl]benzene has a molecular weight of 278.32 g/mol, XLogP of 5.47, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethyl-3-[1-[4-(trifluoromethyl)phenyl]ethyl]benzene is sourced from PubChem (CID 134982830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).