5-(2,6-dimethylphenyl)-2-fluoro-1-propan-2-yl-3-(trifluoromethyl)benzene

C18H18F4 — CID 177292062

IUPAC5-(2,6-dimethylphenyl)-2-fluoro-1-propan-2-yl-3-(trifluoromethyl)benzene
SMILESCc1cccc(C)c1-c1cc(C(C)C)c(F)c(C(F)(F)F)c1
InChIInChI=1S/C18H18F4/c1-10(2)14-8-13(9-15(17(14)19)18(20,21)22)16-11(3)6-5-7-12(16)4/h5-10H,1-4H3
InChIKeyDNEDUWQIJIQYEU-UHFFFAOYSA-N
MW310.33 g/mol
LogP6.25
Rot. Bonds2

About 5-(2,6-dimethylphenyl)-2-fluoro-1-propan-2-yl-3-(trifluoromethyl)benzene

5-(2,6-dimethylphenyl)-2-fluoro-1-propan-2-yl-3-(trifluoromethyl)benzene (PubChem CID 177292062) has the molecular formula C18H18F4 and a molecular weight of 310.33 g/mol. Its IUPAC name is 5-(2,6-dimethylphenyl)-2-fluoro-1-propan-2-yl-3-(trifluoromethyl)benzene.

Molecular Properties

Compound Name5-(2,6-dimethylphenyl)-2-fluoro-1-propan-2-yl-3-(trifluoromethyl)benzene
PubChem CID177292062
Molecular FormulaC18H18F4
Molecular Weight310.33 g/mol
Exact Mass310.13
IUPAC Name5-(2,6-dimethylphenyl)-2-fluoro-1-propan-2-yl-3-(trifluoromethyl)benzene
SMILESCc1cccc(C)c1-c1cc(C(C)C)c(F)c(C(F)(F)F)c1
InChIInChI=1S/C18H18F4/c1-10(2)14-8-13(9-15(17(14)19)18(20,21)22)16-11(3)6-5-7-12(16)4/h5-10H,1-4H3
InChIKeyDNEDUWQIJIQYEU-UHFFFAOYSA-N
XLogP6.25
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.33
LogP ≤ 56.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

5-(2,6-dimethylphenyl)-2-fluoro-1-methyl-3-(trifluoromethyl)benzene
CID 170027583
1-bromo-4-(2-chloro-6-methylphenyl)-2-(trifluoromethyl)benzene
CID 66252198
2-propan-2-yl-4-(3-propan-2-ylphenyl)-1-(trifluoromethyl)benzene
CID 155328294
[[2-fluoro-3-(trifluoromethyl)phenyl]-(4-methylphenyl)methyl]hydrazine
CID 105250323
1,3-bis[2,6-di(propan-2-yl)phenyl]-5-(trifluoromethyl)benzene
CID 101460916
4-(2-propan-2-ylphenyl)-2-(trifluoromethyl)aniline
CID 175663849
1-fluoro-3-propan-2-yl-2-[4-(trifluoromethyl)phenyl]benzene
CID 54565762
1-methyl-4-[4-[4-methyl-3-(trifluoromethyl)phenyl]phenyl]-2-(trifluoromethyl)benzene
CID 87917003
3-[5-(2,6-dimethylphenyl)-2-fluoro-3-(trifluoromethyl)phenyl]-3-[[2-[5-[2-(3-fluoroazetidin-1-yl)ethyl]-2-oxopyrimidin-1-yl]-4-methylpentanoyl]amino]propanoic acid
CID 175440575
(3-chloro-4-methylphenyl)-[2-fluoro-3-(trifluoromethyl)phenyl]methanamine
CID 107560543
ethyl (3S)-3-[5-(2,6-dimethylphenyl)-2-fluoro-3-(trifluoromethyl)phenyl]-3-[[(2S)-2-[5-[2-(3-fluoro-3-methylazetidin-1-yl)ethyl]-4-methyl-2-oxopyrimidin-1-yl]-4-methylpentanoyl]amino]propanoate
CID 169085199
1,3-dimethyl-4-(trifluoromethyl)-2-[2,4,6-tri(propan-2-yl)phenyl]benzene
CID 58112641

Frequently Asked Questions

What is the IUPAC name of 5-(2,6-dimethylphenyl)-2-fluoro-1-propan-2-yl-3-(trifluoromethyl)benzene?
The IUPAC name of 5-(2,6-dimethylphenyl)-2-fluoro-1-propan-2-yl-3-(trifluoromethyl)benzene (CID 177292062) is 5-(2,6-dimethylphenyl)-2-fluoro-1-propan-2-yl-3-(trifluoromethyl)benzene.
What is the SMILES notation for 5-(2,6-dimethylphenyl)-2-fluoro-1-propan-2-yl-3-(trifluoromethyl)benzene?
The canonical SMILES for 5-(2,6-dimethylphenyl)-2-fluoro-1-propan-2-yl-3-(trifluoromethyl)benzene is Cc1cccc(C)c1-c1cc(C(C)C)c(F)c(C(F)(F)F)c1.
What is the InChIKey of 5-(2,6-dimethylphenyl)-2-fluoro-1-propan-2-yl-3-(trifluoromethyl)benzene?
The InChIKey is DNEDUWQIJIQYEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F4/c1-10(2)14-8-13(9-15(17(14)19)18(20,21)22)16-11(3)6-5-7-12(16)4/h5-10H,1-4H3.
What are the key properties of 5-(2,6-dimethylphenyl)-2-fluoro-1-propan-2-yl-3-(trifluoromethyl)benzene?
5-(2,6-dimethylphenyl)-2-fluoro-1-propan-2-yl-3-(trifluoromethyl)benzene has a molecular weight of 310.33 g/mol, XLogP of 6.25, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,6-dimethylphenyl)-2-fluoro-1-propan-2-yl-3-(trifluoromethyl)benzene is sourced from PubChem (CID 177292062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).