1,2,4,5-tetrafluoro-3-methyl-6-[1,1,2,2-tetrafluoro-2-(3-methylphenyl)ethyl]benzene

C16H10F8 — CID 101027772

IUPAC1,2,4,5-tetrafluoro-3-methyl-6-[1,1,2,2-tetrafluoro-2-(3-methylphenyl)ethyl]benzene
SMILESCc1cccc(C(F)(F)C(F)(F)c2c(F)c(F)c(C)c(F)c2F)c1
InChIInChI=1S/C16H10F8/c1-7-4-3-5-9(6-7)15(21,22)16(23,24)10-13(19)11(17)8(2)12(18)14(10)20/h3-6H,1-2H3
InChIKeyQGCZPXNQCOBKGS-UHFFFAOYSA-N
MW354.24 g/mol
LogP5.74
Rot. Bonds3

About 1,2,4,5-tetrafluoro-3-methyl-6-[1,1,2,2-tetrafluoro-2-(3-methylphenyl)ethyl]benzene

1,2,4,5-tetrafluoro-3-methyl-6-[1,1,2,2-tetrafluoro-2-(3-methylphenyl)ethyl]benzene (PubChem CID 101027772) has the molecular formula C16H10F8 and a molecular weight of 354.24 g/mol. Its IUPAC name is 1,2,4,5-tetrafluoro-3-methyl-6-[1,1,2,2-tetrafluoro-2-(3-methylphenyl)ethyl]benzene.

Molecular Properties

Compound Name1,2,4,5-tetrafluoro-3-methyl-6-[1,1,2,2-tetrafluoro-2-(3-methylphenyl)ethyl]benzene
PubChem CID101027772
Molecular FormulaC16H10F8
Molecular Weight354.24 g/mol
Exact Mass354.07
IUPAC Name1,2,4,5-tetrafluoro-3-methyl-6-[1,1,2,2-tetrafluoro-2-(3-methylphenyl)ethyl]benzene
SMILESCc1cccc(C(F)(F)C(F)(F)c2c(F)c(F)c(C)c(F)c2F)c1
InChIInChI=1S/C16H10F8/c1-7-4-3-5-9(6-7)15(21,22)16(23,24)10-13(19)11(17)8(2)12(18)14(10)20/h3-6H,1-2H3
InChIKeyQGCZPXNQCOBKGS-UHFFFAOYSA-N
XLogP5.74
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.24
LogP ≤ 55.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

1-[1,1,2,2,3,3-hexafluoro-3-(3-methylphenyl)propyl]-3-methylbenzene
CID 163492269
1-methyl-3-[1,1,2,2-tetrafluoro-2-[4-(1,1,2,2-tetrafluoropropyl)phenyl]ethyl]benzene
CID 158300208
1,1-difluoro-2-methyl-1-(3-methylphenyl)propan-2-amine
CID 105452057
1,3,4-trifluoro-5-methyl-2-(1,1,2,2-tetrafluoro-2-phenylethyl)benzene
CID 175079511
1-[difluoro-(3-methylphenyl)methyl]-4-methylbenzene;1-[difluoro-(4-methylphenyl)methyl]-4-methylbenzene
CID 143856845
1-(2-fluorobut-3-en-2-yl)-3-methylbenzene
CID 138579646
1-[3,5-diethyl-4,4-difluoro-5-(3-methylphenyl)heptan-3-yl]-3-methylbenzene
CID 137435813
1-(3-methylphenyl)ethane-1,1-diamine
CID 70165024
4-[1,1,1,3,3,3-hexafluoro-2-(3-methylphenyl)propan-2-yl]-1,2-dimethylbenzene
CID 58193383
2,3,3,3-tetrafluoro-2-(3-methylphenyl)propan-1-amine
CID 84735272
2-methyl-2-(3-methylphenyl)propan-1-amine
CID 47002400
1-[2-(3,5-dimethylphenyl)-1,1,2,2-tetrafluoroethyl]-3,5-dimethylbenzene
CID 139607359

Frequently Asked Questions

What is the IUPAC name of 1,2,4,5-tetrafluoro-3-methyl-6-[1,1,2,2-tetrafluoro-2-(3-methylphenyl)ethyl]benzene?
The IUPAC name of 1,2,4,5-tetrafluoro-3-methyl-6-[1,1,2,2-tetrafluoro-2-(3-methylphenyl)ethyl]benzene (CID 101027772) is 1,2,4,5-tetrafluoro-3-methyl-6-[1,1,2,2-tetrafluoro-2-(3-methylphenyl)ethyl]benzene.
What is the SMILES notation for 1,2,4,5-tetrafluoro-3-methyl-6-[1,1,2,2-tetrafluoro-2-(3-methylphenyl)ethyl]benzene?
The canonical SMILES for 1,2,4,5-tetrafluoro-3-methyl-6-[1,1,2,2-tetrafluoro-2-(3-methylphenyl)ethyl]benzene is Cc1cccc(C(F)(F)C(F)(F)c2c(F)c(F)c(C)c(F)c2F)c1.
What is the InChIKey of 1,2,4,5-tetrafluoro-3-methyl-6-[1,1,2,2-tetrafluoro-2-(3-methylphenyl)ethyl]benzene?
The InChIKey is QGCZPXNQCOBKGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10F8/c1-7-4-3-5-9(6-7)15(21,22)16(23,24)10-13(19)11(17)8(2)12(18)14(10)20/h3-6H,1-2H3.
What are the key properties of 1,2,4,5-tetrafluoro-3-methyl-6-[1,1,2,2-tetrafluoro-2-(3-methylphenyl)ethyl]benzene?
1,2,4,5-tetrafluoro-3-methyl-6-[1,1,2,2-tetrafluoro-2-(3-methylphenyl)ethyl]benzene has a molecular weight of 354.24 g/mol, XLogP of 5.74, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,4,5-tetrafluoro-3-methyl-6-[1,1,2,2-tetrafluoro-2-(3-methylphenyl)ethyl]benzene is sourced from PubChem (CID 101027772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).