4-[1-(3,4-dimethylphenyl)-1,2,2,3,3,3-hexafluoropropyl]-1,2-dimethylbenzene

C19H18F6 — CID 57319758

IUPAC4-[1-(3,4-dimethylphenyl)-1,2,2,3,3,3-hexafluoropropyl]-1,2-dimethylbenzene
SMILESCc1ccc(C(F)(c2ccc(C)c(C)c2)C(F)(F)C(F)(F)F)cc1C
InChIInChI=1S/C19H18F6/c1-11-5-7-15(9-13(11)3)17(20,18(21,22)19(23,24)25)16-8-6-12(2)14(4)10-16/h5-10H,1-4H3
InChIKeyRBKBUFYMRZZSNI-UHFFFAOYSA-N
MW360.34 g/mol
LogP6.33
Rot. Bonds3

About 4-[1-(3,4-dimethylphenyl)-1,2,2,3,3,3-hexafluoropropyl]-1,2-dimethylbenzene

4-[1-(3,4-dimethylphenyl)-1,2,2,3,3,3-hexafluoropropyl]-1,2-dimethylbenzene (PubChem CID 57319758) has the molecular formula C19H18F6 and a molecular weight of 360.34 g/mol. Its IUPAC name is 4-[1-(3,4-dimethylphenyl)-1,2,2,3,3,3-hexafluoropropyl]-1,2-dimethylbenzene.

Molecular Properties

Compound Name4-[1-(3,4-dimethylphenyl)-1,2,2,3,3,3-hexafluoropropyl]-1,2-dimethylbenzene
PubChem CID57319758
Molecular FormulaC19H18F6
Molecular Weight360.34 g/mol
Exact Mass360.13
IUPAC Name4-[1-(3,4-dimethylphenyl)-1,2,2,3,3,3-hexafluoropropyl]-1,2-dimethylbenzene
SMILESCc1ccc(C(F)(c2ccc(C)c(C)c2)C(F)(F)C(F)(F)F)cc1C
InChIInChI=1S/C19H18F6/c1-11-5-7-15(9-13(11)3)17(20,18(21,22)19(23,24)25)16-8-6-12(2)14(4)10-16/h5-10H,1-4H3
InChIKeyRBKBUFYMRZZSNI-UHFFFAOYSA-N
XLogP6.33
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.34
LogP ≤ 56.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[1-(3,4-dimethylphenyl)-1,2,2,3,3,3-hexafluoropropyl]-1,2-dimethylbenzene?
The IUPAC name of 4-[1-(3,4-dimethylphenyl)-1,2,2,3,3,3-hexafluoropropyl]-1,2-dimethylbenzene (CID 57319758) is 4-[1-(3,4-dimethylphenyl)-1,2,2,3,3,3-hexafluoropropyl]-1,2-dimethylbenzene.
What is the SMILES notation for 4-[1-(3,4-dimethylphenyl)-1,2,2,3,3,3-hexafluoropropyl]-1,2-dimethylbenzene?
The canonical SMILES for 4-[1-(3,4-dimethylphenyl)-1,2,2,3,3,3-hexafluoropropyl]-1,2-dimethylbenzene is Cc1ccc(C(F)(c2ccc(C)c(C)c2)C(F)(F)C(F)(F)F)cc1C.
What is the InChIKey of 4-[1-(3,4-dimethylphenyl)-1,2,2,3,3,3-hexafluoropropyl]-1,2-dimethylbenzene?
The InChIKey is RBKBUFYMRZZSNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F6/c1-11-5-7-15(9-13(11)3)17(20,18(21,22)19(23,24)25)16-8-6-12(2)14(4)10-16/h5-10H,1-4H3.
What are the key properties of 4-[1-(3,4-dimethylphenyl)-1,2,2,3,3,3-hexafluoropropyl]-1,2-dimethylbenzene?
4-[1-(3,4-dimethylphenyl)-1,2,2,3,3,3-hexafluoropropyl]-1,2-dimethylbenzene has a molecular weight of 360.34 g/mol, XLogP of 6.33, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(3,4-dimethylphenyl)-1,2,2,3,3,3-hexafluoropropyl]-1,2-dimethylbenzene is sourced from PubChem (CID 57319758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).