2,4-difluoro-1-[2-methyl-4-(trifluoromethyl)phenyl]benzene

C14H9F5 — CID 169072337

IUPAC2,4-difluoro-1-[2-methyl-4-(trifluoromethyl)phenyl]benzene
SMILESCc1cc(C(F)(F)F)ccc1-c1ccc(F)cc1F
InChIInChI=1S/C14H9F5/c1-8-6-9(14(17,18)19)2-4-11(8)12-5-3-10(15)7-13(12)16/h2-7H,1H3
InChIKeyGWWIIUWYEDERGY-UHFFFAOYSA-N
MW272.22 g/mol
LogP4.96
Rot. Bonds1

About 2,4-difluoro-1-[2-methyl-4-(trifluoromethyl)phenyl]benzene

2,4-difluoro-1-[2-methyl-4-(trifluoromethyl)phenyl]benzene (PubChem CID 169072337) has the molecular formula C14H9F5 and a molecular weight of 272.22 g/mol. Its IUPAC name is 2,4-difluoro-1-[2-methyl-4-(trifluoromethyl)phenyl]benzene.

Molecular Properties

Compound Name2,4-difluoro-1-[2-methyl-4-(trifluoromethyl)phenyl]benzene
PubChem CID169072337
Molecular FormulaC14H9F5
Molecular Weight272.22 g/mol
Exact Mass272.06
IUPAC Name2,4-difluoro-1-[2-methyl-4-(trifluoromethyl)phenyl]benzene
SMILESCc1cc(C(F)(F)F)ccc1-c1ccc(F)cc1F
InChIInChI=1S/C14H9F5/c1-8-6-9(14(17,18)19)2-4-11(8)12-5-3-10(15)7-13(12)16/h2-7H,1H3
InChIKeyGWWIIUWYEDERGY-UHFFFAOYSA-N
XLogP4.96
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.22
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2-fluoro-1-[5-fluoro-2-(trifluoromethyl)phenyl]-4-(trifluoromethyl)benzene
CID 123582186
ethane;2-fluoro-1-methyl-4-(trifluoromethyl)benzene;4-fluoro-1-methyl-2-(trifluoromethyl)benzene
CID 145466180
2-fluoro-1-[2-iodo-5-(trifluoromethyl)phenyl]-4-methylbenzene
CID 170835752
3-methyl-4-[2-methyl-4-(trifluoromethyl)phenyl]benzaldehyde
CID 102755549
2-tert-butyl-5-(2,4-difluorophenyl)-4-methylpyridine
CID 121384487
2-methyl-4-(trifluoromethyl)-1-[3-(trifluoromethyl)phenyl]benzene
CID 134627753
1-(2,4-dimethylphenyl)-2,4-dimethylbenzene;2-fluoro-1-(2-fluoro-4-methylphenyl)-4-methylbenzene;4-methyl-1-[4-methyl-2-(trifluoromethyl)phenyl]-2-(trifluoromethyl)benzene
CID 160749808
5-fluoro-6-[2-methyl-4-(trifluoromethyl)phenyl]-1H-pyrimidine-2-thione
CID 106522970
(2,5-difluorophenyl)-[2-methyl-4-(trifluoromethyl)phenyl]methanone
CID 102752464
3-(2,4-difluorophenyl)-5-(trifluoromethyl)phenol
CID 53221990
5-[2-methyl-4-(trifluoromethyl)phenyl]pyrimidin-2-amine
CID 102755489
1,2-dichloro-3-[2-methyl-4-(trifluoromethyl)phenyl]benzene
CID 118815271

Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-1-[2-methyl-4-(trifluoromethyl)phenyl]benzene?
The IUPAC name of 2,4-difluoro-1-[2-methyl-4-(trifluoromethyl)phenyl]benzene (CID 169072337) is 2,4-difluoro-1-[2-methyl-4-(trifluoromethyl)phenyl]benzene.
What is the SMILES notation for 2,4-difluoro-1-[2-methyl-4-(trifluoromethyl)phenyl]benzene?
The canonical SMILES for 2,4-difluoro-1-[2-methyl-4-(trifluoromethyl)phenyl]benzene is Cc1cc(C(F)(F)F)ccc1-c1ccc(F)cc1F.
What is the InChIKey of 2,4-difluoro-1-[2-methyl-4-(trifluoromethyl)phenyl]benzene?
The InChIKey is GWWIIUWYEDERGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9F5/c1-8-6-9(14(17,18)19)2-4-11(8)12-5-3-10(15)7-13(12)16/h2-7H,1H3.
What are the key properties of 2,4-difluoro-1-[2-methyl-4-(trifluoromethyl)phenyl]benzene?
2,4-difluoro-1-[2-methyl-4-(trifluoromethyl)phenyl]benzene has a molecular weight of 272.22 g/mol, XLogP of 4.96, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoro-1-[2-methyl-4-(trifluoromethyl)phenyl]benzene is sourced from PubChem (CID 169072337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).