1,2,3,4,5-pentafluoro-6-[(2,3,5,6-tetrafluorophenyl)methyl]benzene

C13H3F9 — CID 158676159

IUPAC1,2,3,4,5-pentafluoro-6-[(2,3,5,6-tetrafluorophenyl)methyl]benzene
SMILESFc1cc(F)c(F)c(Cc2c(F)c(F)c(F)c(F)c2F)c1F
InChIInChI=1S/C13H3F9/c14-5-2-6(15)8(17)3(7(5)16)1-4-9(18)11(20)13(22)12(21)10(4)19/h2H,1H2
InChIKeyWLNGFKSJVQHYQM-UHFFFAOYSA-N
MW330.15 g/mol
LogP4.53
Rot. Bonds2

About 1,2,3,4,5-pentafluoro-6-[(2,3,5,6-tetrafluorophenyl)methyl]benzene

1,2,3,4,5-pentafluoro-6-[(2,3,5,6-tetrafluorophenyl)methyl]benzene (PubChem CID 158676159) has the molecular formula C13H3F9 and a molecular weight of 330.15 g/mol. Its IUPAC name is 1,2,3,4,5-pentafluoro-6-[(2,3,5,6-tetrafluorophenyl)methyl]benzene.

Molecular Properties

Compound Name1,2,3,4,5-pentafluoro-6-[(2,3,5,6-tetrafluorophenyl)methyl]benzene
PubChem CID158676159
Molecular FormulaC13H3F9
Molecular Weight330.15 g/mol
Exact Mass330.01
IUPAC Name1,2,3,4,5-pentafluoro-6-[(2,3,5,6-tetrafluorophenyl)methyl]benzene
SMILESFc1cc(F)c(F)c(Cc2c(F)c(F)c(F)c(F)c2F)c1F
InChIInChI=1S/C13H3F9/c14-5-2-6(15)8(17)3(7(5)16)1-4-9(18)11(20)13(22)12(21)10(4)19/h2H,1H2
InChIKeyWLNGFKSJVQHYQM-UHFFFAOYSA-N
XLogP4.53
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.15
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

CID 172801487
CID 172801487
magnesium;1,2,3,4,5-pentafluorobenzene;dibromide
CID 157145782
1-ethyl-2,3,4,5,6-pentafluorobenzene;1,2,4,5-tetrafluoro-3-methylbenzene
CID 144965561
1-(2,3,5,6-tetrafluorophenyl)propan-2-one
CID 117294401
1,2,4,5-tetrafluoro-3-propylbenzene
CID 12944004
2-(2,3,5,6-tetrafluorophenyl)ethanol
CID 55267363
4-[(2,3,5,6-tetrafluorophenyl)methyl]benzenethiol
CID 177164088
1,2,4,5-tetrafluoro-3-prop-2-enylbenzene
CID 12944006
2-[chloro(deuterio)methyl]-1,3,4,5-tetrafluorobenzene
CID 87290115
ethane;fluoromethane;1,2,3,4,5-pentafluorobenzene
CID 165395755
1,2,3,5-tetrafluoro-4-propylbenzene
CID 88575988
1,2,3,4,5-pentafluoro-6-[(2,3,4,6-tetrafluorophenyl)methylperoxy]benzene
CID 175411259

Frequently Asked Questions

What is the IUPAC name of 1,2,3,4,5-pentafluoro-6-[(2,3,5,6-tetrafluorophenyl)methyl]benzene?
The IUPAC name of 1,2,3,4,5-pentafluoro-6-[(2,3,5,6-tetrafluorophenyl)methyl]benzene (CID 158676159) is 1,2,3,4,5-pentafluoro-6-[(2,3,5,6-tetrafluorophenyl)methyl]benzene.
What is the SMILES notation for 1,2,3,4,5-pentafluoro-6-[(2,3,5,6-tetrafluorophenyl)methyl]benzene?
The canonical SMILES for 1,2,3,4,5-pentafluoro-6-[(2,3,5,6-tetrafluorophenyl)methyl]benzene is Fc1cc(F)c(F)c(Cc2c(F)c(F)c(F)c(F)c2F)c1F.
What is the InChIKey of 1,2,3,4,5-pentafluoro-6-[(2,3,5,6-tetrafluorophenyl)methyl]benzene?
The InChIKey is WLNGFKSJVQHYQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H3F9/c14-5-2-6(15)8(17)3(7(5)16)1-4-9(18)11(20)13(22)12(21)10(4)19/h2H,1H2.
What are the key properties of 1,2,3,4,5-pentafluoro-6-[(2,3,5,6-tetrafluorophenyl)methyl]benzene?
1,2,3,4,5-pentafluoro-6-[(2,3,5,6-tetrafluorophenyl)methyl]benzene has a molecular weight of 330.15 g/mol, XLogP of 4.53, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4,5-pentafluoro-6-[(2,3,5,6-tetrafluorophenyl)methyl]benzene is sourced from PubChem (CID 158676159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).