1-[2-(3,5-dimethylphenyl)-1,1,2,2-tetrafluoroethyl]-3,5-dimethylbenzene

C18H18F4 — CID 139607359

IUPAC1-[2-(3,5-dimethylphenyl)-1,1,2,2-tetrafluoroethyl]-3,5-dimethylbenzene
SMILESCc1cc(C)cc(C(F)(F)C(F)(F)c2cc(C)cc(C)c2)c1
InChIInChI=1S/C18H18F4/c1-11-5-12(2)8-15(7-11)17(19,20)18(21,22)16-9-13(3)6-14(4)10-16/h5-10H,1-4H3
InChIKeyAAGGDAFODYVKQZ-UHFFFAOYSA-N
MW310.33 g/mol
LogP5.80
Rot. Bonds3

About 1-[2-(3,5-dimethylphenyl)-1,1,2,2-tetrafluoroethyl]-3,5-dimethylbenzene

1-[2-(3,5-dimethylphenyl)-1,1,2,2-tetrafluoroethyl]-3,5-dimethylbenzene (PubChem CID 139607359) has the molecular formula C18H18F4 and a molecular weight of 310.33 g/mol. Its IUPAC name is 1-[2-(3,5-dimethylphenyl)-1,1,2,2-tetrafluoroethyl]-3,5-dimethylbenzene.

Molecular Properties

Compound Name1-[2-(3,5-dimethylphenyl)-1,1,2,2-tetrafluoroethyl]-3,5-dimethylbenzene
PubChem CID139607359
Molecular FormulaC18H18F4
Molecular Weight310.33 g/mol
Exact Mass310.13
IUPAC Name1-[2-(3,5-dimethylphenyl)-1,1,2,2-tetrafluoroethyl]-3,5-dimethylbenzene
SMILESCc1cc(C)cc(C(F)(F)C(F)(F)c2cc(C)cc(C)c2)c1
InChIInChI=1S/C18H18F4/c1-11-5-12(2)8-15(7-11)17(19,20)18(21,22)16-9-13(3)6-14(4)10-16/h5-10H,1-4H3
InChIKeyAAGGDAFODYVKQZ-UHFFFAOYSA-N
XLogP5.80
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.33
LogP ≤ 55.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

1,3-dimethyl-5-(trifluoromethyl)benzene;ethane
CID 143497301
1,3-bis(1,1,2,2,3,3,3-heptafluoropropyl)-5-methylbenzene
CID 89035185
2-(3,5-dimethylphenyl)-2,2-difluoroethanol
CID 58543608
1-bromo-2-(3,5-dimethylphenyl)-1,1-difluoropropan-2-ol
CID 107140313
2-(3,5-dimethylphenyl)-2-fluoropropan-1-amine
CID 112565200
(3,5-dimethylphenyl)methanetriamine
CID 143122462
bis(3,5-dimethylphenyl)-[3-methyl-5-(trifluoromethyl)phenyl]sulfanium
CID 163603392
CID 171375446
CID 171375446
titanium;bis(1,3,5-trimethylbenzene)
CID 12633333
ethane;1,3,5-trimethylbenzene
CID 91530079
1-methyl-3-(2,2,2-trifluoroethyl)-5-(trifluoromethyl)benzene
CID 142829661
1-[difluoro(iodo)methyl]-3-methyl-5-(trifluoromethyl)benzene
CID 131977806

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3,5-dimethylphenyl)-1,1,2,2-tetrafluoroethyl]-3,5-dimethylbenzene?
The IUPAC name of 1-[2-(3,5-dimethylphenyl)-1,1,2,2-tetrafluoroethyl]-3,5-dimethylbenzene (CID 139607359) is 1-[2-(3,5-dimethylphenyl)-1,1,2,2-tetrafluoroethyl]-3,5-dimethylbenzene.
What is the SMILES notation for 1-[2-(3,5-dimethylphenyl)-1,1,2,2-tetrafluoroethyl]-3,5-dimethylbenzene?
The canonical SMILES for 1-[2-(3,5-dimethylphenyl)-1,1,2,2-tetrafluoroethyl]-3,5-dimethylbenzene is Cc1cc(C)cc(C(F)(F)C(F)(F)c2cc(C)cc(C)c2)c1.
What is the InChIKey of 1-[2-(3,5-dimethylphenyl)-1,1,2,2-tetrafluoroethyl]-3,5-dimethylbenzene?
The InChIKey is AAGGDAFODYVKQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F4/c1-11-5-12(2)8-15(7-11)17(19,20)18(21,22)16-9-13(3)6-14(4)10-16/h5-10H,1-4H3.
What are the key properties of 1-[2-(3,5-dimethylphenyl)-1,1,2,2-tetrafluoroethyl]-3,5-dimethylbenzene?
1-[2-(3,5-dimethylphenyl)-1,1,2,2-tetrafluoroethyl]-3,5-dimethylbenzene has a molecular weight of 310.33 g/mol, XLogP of 5.80, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3,5-dimethylphenyl)-1,1,2,2-tetrafluoroethyl]-3,5-dimethylbenzene is sourced from PubChem (CID 139607359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).