2-fluoro-1,3,5-trimethyl-4-(2,4,6-trimethylphenyl)benzene

C18H21F — CID 91665757

IUPAC2-fluoro-1,3,5-trimethyl-4-(2,4,6-trimethylphenyl)benzene
SMILESCc1cc(C)c(-c2c(C)cc(C)c(F)c2C)c(C)c1
InChIInChI=1S/C18H21F/c1-10-7-11(2)16(12(3)8-10)17-13(4)9-14(5)18(19)15(17)6/h7-9H,1-6H3
InChIKeyCULZVROQOKSPKC-UHFFFAOYSA-N
MW256.36 g/mol
LogP5.34
Rot. Bonds1

About 2-fluoro-1,3,5-trimethyl-4-(2,4,6-trimethylphenyl)benzene

2-fluoro-1,3,5-trimethyl-4-(2,4,6-trimethylphenyl)benzene (PubChem CID 91665757) has the molecular formula C18H21F and a molecular weight of 256.36 g/mol. Its IUPAC name is 2-fluoro-1,3,5-trimethyl-4-(2,4,6-trimethylphenyl)benzene.

Molecular Properties

Compound Name2-fluoro-1,3,5-trimethyl-4-(2,4,6-trimethylphenyl)benzene
PubChem CID91665757
Molecular FormulaC18H21F
Molecular Weight256.36 g/mol
Exact Mass256.16
IUPAC Name2-fluoro-1,3,5-trimethyl-4-(2,4,6-trimethylphenyl)benzene
SMILESCc1cc(C)c(-c2c(C)cc(C)c(F)c2C)c(C)c1
InChIInChI=1S/C18H21F/c1-10-7-11(2)16(12(3)8-10)17-13(4)9-14(5)18(19)15(17)6/h7-9H,1-6H3
InChIKeyCULZVROQOKSPKC-UHFFFAOYSA-N
XLogP5.34
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500256.36
LogP ≤ 55.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2-(2,6-dimethylphenyl)-1,3,5-trimethyl-4-[2,4,6-trimethyl-3-[2,4,6-trimethyl-3-(2,4,6-trimethylphenyl)phenyl]phenyl]benzene
CID 57209426
2,4,6-trimethyl-3-(2,4,6-trimethylphenyl)benzaldehyde
CID 14915375
2-fluoro-1,5-dimethyl-3-methylsulfanylbenzene
CID 130850117
2-[4-(4-fluoro-3,5-dimethylphenyl)-3,5-dimethylphenyl]-1,3-dimethyl-5-(4-methylphenyl)benzene
CID 59133253
1-(chloromethyl)-2-fluoro-3,5-dimethylbenzene
CID 130925257
bis(2-fluoro-3,5-dimethylphenyl)methanone
CID 139698663
CID 174413580
CID 174413580
1-(2-fluoro-3,5-dimethylphenyl)ethanol
CID 83988897
2-(5-fluoro-2-methylphenyl)-1,3,5-trimethylbenzene
CID 91665782
5-[bromo-(3-chloro-5-methylphenyl)methyl]-2-fluoro-1,3-dimethylbenzene
CID 81324231
2-(3,5-dimethylphenyl)-1,3,4,5-tetramethylbenzene
CID 171799163
1,3,5-tris(fluoromethyl)-2-(2,4,6-trimethylphenyl)benzene
CID 91119643

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-1,3,5-trimethyl-4-(2,4,6-trimethylphenyl)benzene?
The IUPAC name of 2-fluoro-1,3,5-trimethyl-4-(2,4,6-trimethylphenyl)benzene (CID 91665757) is 2-fluoro-1,3,5-trimethyl-4-(2,4,6-trimethylphenyl)benzene.
What is the SMILES notation for 2-fluoro-1,3,5-trimethyl-4-(2,4,6-trimethylphenyl)benzene?
The canonical SMILES for 2-fluoro-1,3,5-trimethyl-4-(2,4,6-trimethylphenyl)benzene is Cc1cc(C)c(-c2c(C)cc(C)c(F)c2C)c(C)c1.
What is the InChIKey of 2-fluoro-1,3,5-trimethyl-4-(2,4,6-trimethylphenyl)benzene?
The InChIKey is CULZVROQOKSPKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21F/c1-10-7-11(2)16(12(3)8-10)17-13(4)9-14(5)18(19)15(17)6/h7-9H,1-6H3.
What are the key properties of 2-fluoro-1,3,5-trimethyl-4-(2,4,6-trimethylphenyl)benzene?
2-fluoro-1,3,5-trimethyl-4-(2,4,6-trimethylphenyl)benzene has a molecular weight of 256.36 g/mol, XLogP of 5.34, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-1,3,5-trimethyl-4-(2,4,6-trimethylphenyl)benzene is sourced from PubChem (CID 91665757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).