1-fluoro-4-methyl-2-[3-methyl-5-(trifluoromethyl)phenyl]benzene

C15H12F4 — CID 152897168

IUPAC1-fluoro-4-methyl-2-[3-methyl-5-(trifluoromethyl)phenyl]benzene
SMILESCc1cc(-c2cc(C)ccc2F)cc(C(F)(F)F)c1
InChIInChI=1S/C15H12F4/c1-9-3-4-14(16)13(7-9)11-5-10(2)6-12(8-11)15(17,18)19/h3-8H,1-2H3
InChIKeyUEPOTSOEPKJLSE-UHFFFAOYSA-N
MW268.25 g/mol
LogP5.13
Rot. Bonds1

About 1-fluoro-4-methyl-2-[3-methyl-5-(trifluoromethyl)phenyl]benzene

1-fluoro-4-methyl-2-[3-methyl-5-(trifluoromethyl)phenyl]benzene (PubChem CID 152897168) has the molecular formula C15H12F4 and a molecular weight of 268.25 g/mol. Its IUPAC name is 1-fluoro-4-methyl-2-[3-methyl-5-(trifluoromethyl)phenyl]benzene.

Molecular Properties

Compound Name1-fluoro-4-methyl-2-[3-methyl-5-(trifluoromethyl)phenyl]benzene
PubChem CID152897168
Molecular FormulaC15H12F4
Molecular Weight268.25 g/mol
Exact Mass268.09
IUPAC Name1-fluoro-4-methyl-2-[3-methyl-5-(trifluoromethyl)phenyl]benzene
SMILESCc1cc(-c2cc(C)ccc2F)cc(C(F)(F)F)c1
InChIInChI=1S/C15H12F4/c1-9-3-4-14(16)13(7-9)11-5-10(2)6-12(8-11)15(17,18)19/h3-8H,1-2H3
InChIKeyUEPOTSOEPKJLSE-UHFFFAOYSA-N
XLogP5.13
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500268.25
LogP ≤ 55.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

6-(2-fluoro-5-methylphenyl)-N-methyl-4-(trifluoromethyl)pyridin-2-amine
CID 102716533
1-[2,4-bis(trifluoromethyl)phenyl]-3-methyl-5-(trifluoromethyl)benzene
CID 169072232
2-fluoro-1,3-bis(2-fluoro-5-methylphenyl)-5-methylbenzene
CID 13230580
2-[2,4-difluoro-3-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]-5-methylpyridine
CID 58401085
1-methyl-3-phenyl-5-(trifluoromethyl)benzene
CID 46315073
1-(5-fluoro-2-propan-2-ylphenyl)-3-methyl-5-(trifluoromethyl)benzene
CID 170246253
1,3-dimethyl-5-(trifluoromethyl)benzene;ethane
CID 143497301
2-(3,5-dimethylphenyl)-4-methylphenol
CID 83128988
4-tert-butyl-1-fluoro-2-(4-methylphenyl)benzene
CID 58049386
4-(2-fluoro-5-methylphenyl)pyridine
CID 46317281
methane;1-methyl-3,5-bis(trifluoromethyl)benzene;1,2,3,4,5-pentafluorobenzene
CID 158369663
1-fluoro-2-(3-fluorophenyl)-4-methylbenzene
CID 46313949

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-4-methyl-2-[3-methyl-5-(trifluoromethyl)phenyl]benzene?
The IUPAC name of 1-fluoro-4-methyl-2-[3-methyl-5-(trifluoromethyl)phenyl]benzene (CID 152897168) is 1-fluoro-4-methyl-2-[3-methyl-5-(trifluoromethyl)phenyl]benzene.
What is the SMILES notation for 1-fluoro-4-methyl-2-[3-methyl-5-(trifluoromethyl)phenyl]benzene?
The canonical SMILES for 1-fluoro-4-methyl-2-[3-methyl-5-(trifluoromethyl)phenyl]benzene is Cc1cc(-c2cc(C)ccc2F)cc(C(F)(F)F)c1.
What is the InChIKey of 1-fluoro-4-methyl-2-[3-methyl-5-(trifluoromethyl)phenyl]benzene?
The InChIKey is UEPOTSOEPKJLSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F4/c1-9-3-4-14(16)13(7-9)11-5-10(2)6-12(8-11)15(17,18)19/h3-8H,1-2H3.
What are the key properties of 1-fluoro-4-methyl-2-[3-methyl-5-(trifluoromethyl)phenyl]benzene?
1-fluoro-4-methyl-2-[3-methyl-5-(trifluoromethyl)phenyl]benzene has a molecular weight of 268.25 g/mol, XLogP of 5.13, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-4-methyl-2-[3-methyl-5-(trifluoromethyl)phenyl]benzene is sourced from PubChem (CID 152897168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).