5-[(3,5-difluoro-4-methylphenyl)-(3-fluoro-4-methylphenyl)methyl]-1,3-difluoro-2-methylbenzene

C22H17F5 — CID 153499802

IUPAC5-[(3,5-difluoro-4-methylphenyl)-(3-fluoro-4-methylphenyl)methyl]-1,3-difluoro-2-methylbenzene
SMILESCc1ccc(C(c2cc(F)c(C)c(F)c2)c2cc(F)c(C)c(F)c2)cc1F
InChIInChI=1S/C22H17F5/c1-11-4-5-14(6-17(11)23)22(15-7-18(24)12(2)19(25)8-15)16-9-20(26)13(3)21(27)10-16/h4-10,22H,1-3H3
InChIKeyYIQIXSQBKXKXGX-UHFFFAOYSA-N
MW376.37 g/mol
LogP6.49
Rot. Bonds3

About 5-[(3,5-difluoro-4-methylphenyl)-(3-fluoro-4-methylphenyl)methyl]-1,3-difluoro-2-methylbenzene

5-[(3,5-difluoro-4-methylphenyl)-(3-fluoro-4-methylphenyl)methyl]-1,3-difluoro-2-methylbenzene (PubChem CID 153499802) has the molecular formula C22H17F5 and a molecular weight of 376.37 g/mol. Its IUPAC name is 5-[(3,5-difluoro-4-methylphenyl)-(3-fluoro-4-methylphenyl)methyl]-1,3-difluoro-2-methylbenzene.

Molecular Properties

Compound Name5-[(3,5-difluoro-4-methylphenyl)-(3-fluoro-4-methylphenyl)methyl]-1,3-difluoro-2-methylbenzene
PubChem CID153499802
Molecular FormulaC22H17F5
Molecular Weight376.37 g/mol
Exact Mass376.13
IUPAC Name5-[(3,5-difluoro-4-methylphenyl)-(3-fluoro-4-methylphenyl)methyl]-1,3-difluoro-2-methylbenzene
SMILESCc1ccc(C(c2cc(F)c(C)c(F)c2)c2cc(F)c(C)c(F)c2)cc1F
InChIInChI=1S/C22H17F5/c1-11-4-5-14(6-17(11)23)22(15-7-18(24)12(2)19(25)8-15)16-9-20(26)13(3)21(27)10-16/h4-10,22H,1-3H3
InChIKeyYIQIXSQBKXKXGX-UHFFFAOYSA-N
XLogP6.49
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.37
LogP ≤ 56.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

2-fluoro-4-[1-(3-fluoro-4-methylphenyl)ethyl]-1-methylbenzene
CID 145113474
1,3-difluoro-2,5-dimethylbenzene;2-fluoro-1,4-dimethylbenzene
CID 91513157
2,2-difluoro-1-(3-fluoro-4-methylphenyl)ethanamine
CID 80605936
(3-fluoro-4-methylphenyl)-(2,3,4,5,6-pentamethylphenyl)methanamine
CID 43109404
2-fluoro-4-[1-fluoro-2-(3-fluoro-4-methylphenyl)ethyl]-1-methylbenzene
CID 86172887
4-[bromo-(3,4-dichlorophenyl)methyl]-2-fluoro-1-methylbenzene
CID 55197637
[(3-fluoro-4-methylphenyl)-(4-fluoro-3-methylphenyl)methyl]hydrazine
CID 105201447
1,3-difluoro-2,5-dimethylbenzene;2-fluoro-1,4-dimethylbenzene;methane;1,4-xylene
CID 161158761
1-(3-fluoro-4-methylphenyl)-2,3-dimethylbutan-1-ol
CID 107130631
1-[bromo-(3-fluoro-4-methylphenyl)methyl]-2,4-dimethylbenzene
CID 55197419
[(2,4-difluoro-5-methylphenyl)-(3-fluoro-4-methylphenyl)methyl]hydrazine
CID 107131008
[(3-fluoro-4-methylphenyl)-(2,4,6-trimethylphenyl)methyl]hydrazine
CID 107130966

Frequently Asked Questions

What is the IUPAC name of 5-[(3,5-difluoro-4-methylphenyl)-(3-fluoro-4-methylphenyl)methyl]-1,3-difluoro-2-methylbenzene?
The IUPAC name of 5-[(3,5-difluoro-4-methylphenyl)-(3-fluoro-4-methylphenyl)methyl]-1,3-difluoro-2-methylbenzene (CID 153499802) is 5-[(3,5-difluoro-4-methylphenyl)-(3-fluoro-4-methylphenyl)methyl]-1,3-difluoro-2-methylbenzene.
What is the SMILES notation for 5-[(3,5-difluoro-4-methylphenyl)-(3-fluoro-4-methylphenyl)methyl]-1,3-difluoro-2-methylbenzene?
The canonical SMILES for 5-[(3,5-difluoro-4-methylphenyl)-(3-fluoro-4-methylphenyl)methyl]-1,3-difluoro-2-methylbenzene is Cc1ccc(C(c2cc(F)c(C)c(F)c2)c2cc(F)c(C)c(F)c2)cc1F.
What is the InChIKey of 5-[(3,5-difluoro-4-methylphenyl)-(3-fluoro-4-methylphenyl)methyl]-1,3-difluoro-2-methylbenzene?
The InChIKey is YIQIXSQBKXKXGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17F5/c1-11-4-5-14(6-17(11)23)22(15-7-18(24)12(2)19(25)8-15)16-9-20(26)13(3)21(27)10-16/h4-10,22H,1-3H3.
What are the key properties of 5-[(3,5-difluoro-4-methylphenyl)-(3-fluoro-4-methylphenyl)methyl]-1,3-difluoro-2-methylbenzene?
5-[(3,5-difluoro-4-methylphenyl)-(3-fluoro-4-methylphenyl)methyl]-1,3-difluoro-2-methylbenzene has a molecular weight of 376.37 g/mol, XLogP of 6.49, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3,5-difluoro-4-methylphenyl)-(3-fluoro-4-methylphenyl)methyl]-1,3-difluoro-2-methylbenzene is sourced from PubChem (CID 153499802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).