2-[(3,5-difluorophenyl)methyl]-1,3,5-trimethylbenzene

C16H16F2 — CID 150549971

IUPAC2-[(3,5-difluorophenyl)methyl]-1,3,5-trimethylbenzene
SMILESCc1cc(C)c(Cc2cc(F)cc(F)c2)c(C)c1
InChIInChI=1S/C16H16F2/c1-10-4-11(2)16(12(3)5-10)8-13-6-14(17)9-15(18)7-13/h4-7,9H,8H2,1-3H3
InChIKeyIHRAHTJNGGUPTH-UHFFFAOYSA-N
MW246.30 g/mol
LogP4.48
Rot. Bonds2

About 2-[(3,5-difluorophenyl)methyl]-1,3,5-trimethylbenzene

2-[(3,5-difluorophenyl)methyl]-1,3,5-trimethylbenzene (PubChem CID 150549971) has the molecular formula C16H16F2 and a molecular weight of 246.30 g/mol. Its IUPAC name is 2-[(3,5-difluorophenyl)methyl]-1,3,5-trimethylbenzene.

Molecular Properties

Compound Name2-[(3,5-difluorophenyl)methyl]-1,3,5-trimethylbenzene
PubChem CID150549971
Molecular FormulaC16H16F2
Molecular Weight246.30 g/mol
Exact Mass246.12
IUPAC Name2-[(3,5-difluorophenyl)methyl]-1,3,5-trimethylbenzene
SMILESCc1cc(C)c(Cc2cc(F)cc(F)c2)c(C)c1
InChIInChI=1S/C16H16F2/c1-10-4-11(2)16(12(3)5-10)8-13-6-14(17)9-15(18)7-13/h4-7,9H,8H2,1-3H3
InChIKeyIHRAHTJNGGUPTH-UHFFFAOYSA-N
XLogP4.48
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.30
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-[(3,5-difluorophenyl)methyl]-3,5-difluorobenzene
CID 54036374
1,3-difluoro-2,8-dimethyl-6-[(2,4,6-trimethylphenyl)methyl]naphthalene
CID 118908539
6-[[2,6-dimethyl-4-[(2,4,6-trimethylphenyl)methyl]phenyl]methyl]-1,3-difluoro-2,8-dimethylnaphthalene
CID 118908523
2-[(4-chlorophenyl)methyl]-1,3,5-trimethylbenzene
CID 24763942
2-(3,5-difluorophenyl)-1-(2-fluoro-4,6-dimethylphenyl)-N-methylethanamine
CID 106881394
dichlorozinc;1,3-difluoro-5-methylbenzene
CID 174706993
2-[(3,4-dimethylbenzene-5-id-1-yl)methyl]-1,3,5-trimethylbenzene;yttrium(3+)
CID 20599386
1-ethyl-3,5-difluorobenzene;methanamine
CID 154650973
1-(3-chloropropyl)-3-fluoro-5-methylbenzene
CID 79704910
ethane;1-fluoro-3,5-dimethylbenzene;propane
CID 143107717
ethane;2-ethyl-1-fluoro-3,5-dimethylbenzene
CID 170736558
1-fluoro-2-(iodomethyl)-3,5-dimethylbenzene
CID 170736464

Frequently Asked Questions

What is the IUPAC name of 2-[(3,5-difluorophenyl)methyl]-1,3,5-trimethylbenzene?
The IUPAC name of 2-[(3,5-difluorophenyl)methyl]-1,3,5-trimethylbenzene (CID 150549971) is 2-[(3,5-difluorophenyl)methyl]-1,3,5-trimethylbenzene.
What is the SMILES notation for 2-[(3,5-difluorophenyl)methyl]-1,3,5-trimethylbenzene?
The canonical SMILES for 2-[(3,5-difluorophenyl)methyl]-1,3,5-trimethylbenzene is Cc1cc(C)c(Cc2cc(F)cc(F)c2)c(C)c1.
What is the InChIKey of 2-[(3,5-difluorophenyl)methyl]-1,3,5-trimethylbenzene?
The InChIKey is IHRAHTJNGGUPTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F2/c1-10-4-11(2)16(12(3)5-10)8-13-6-14(17)9-15(18)7-13/h4-7,9H,8H2,1-3H3.
What are the key properties of 2-[(3,5-difluorophenyl)methyl]-1,3,5-trimethylbenzene?
2-[(3,5-difluorophenyl)methyl]-1,3,5-trimethylbenzene has a molecular weight of 246.30 g/mol, XLogP of 4.48, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,5-difluorophenyl)methyl]-1,3,5-trimethylbenzene is sourced from PubChem (CID 150549971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).