1-ethyl-2,3,4,5,6-pentafluorobenzene;1,2,4,5-tetrafluoro-3-methylbenzene

C15H9F9 — CID 144965561

IUPAC1-ethyl-2,3,4,5,6-pentafluorobenzene;1,2,4,5-tetrafluoro-3-methylbenzene
SMILESCCc1c(F)c(F)c(F)c(F)c1F.Cc1c(F)c(F)cc(F)c1F
InChIInChI=1S/C8H5F5.C7H4F4/c1-2-3-4(9)6(11)8(13)7(12)5(3)10;1-3-6(10)4(8)2-5(9)7(3)11/h2H2,1H3;2H,1H3
InChIKeyKHINUTXFBBBUJZ-UHFFFAOYSA-N
MW360.22 g/mol
LogP5.50
Rot. Bonds1

About 1-ethyl-2,3,4,5,6-pentafluorobenzene;1,2,4,5-tetrafluoro-3-methylbenzene

1-ethyl-2,3,4,5,6-pentafluorobenzene;1,2,4,5-tetrafluoro-3-methylbenzene (PubChem CID 144965561) has the molecular formula C15H9F9 and a molecular weight of 360.22 g/mol. Its IUPAC name is 1-ethyl-2,3,4,5,6-pentafluorobenzene;1,2,4,5-tetrafluoro-3-methylbenzene.

Molecular Properties

Compound Name1-ethyl-2,3,4,5,6-pentafluorobenzene;1,2,4,5-tetrafluoro-3-methylbenzene
PubChem CID144965561
Molecular FormulaC15H9F9
Molecular Weight360.22 g/mol
Exact Mass360.06
IUPAC Name1-ethyl-2,3,4,5,6-pentafluorobenzene;1,2,4,5-tetrafluoro-3-methylbenzene
SMILESCCc1c(F)c(F)c(F)c(F)c1F.Cc1c(F)c(F)cc(F)c1F
InChIInChI=1S/C8H5F5.C7H4F4/c1-2-3-4(9)6(11)8(13)7(12)5(3)10;1-3-6(10)4(8)2-5(9)7(3)11/h2H2,1H3;2H,1H3
InChIKeyKHINUTXFBBBUJZ-UHFFFAOYSA-N
XLogP5.50
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.22
LogP ≤ 55.50
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

ethane;1,2,4,5-tetrafluoro-3-methylbenzene
CID 143259717
1-ethyl-2,3,4,5-tetrafluoro-6-[2,4,6-trifluoro-3-(2,3,6-trifluoro-4,5-dimethylphenyl)phenyl]benzene
CID 170287303
1,2,3,4,5-pentafluoro-6-[(2,3,5,6-tetrafluorophenyl)methyl]benzene
CID 158676159
2-ethyl-4,6-difluoro-3-methylphenol
CID 134178031
1,2-bis(ethenyl)-3,4,5-trifluoro-6-methylbenzene;1-ethyl-2,3,5,6-tetrafluoro-4-methylbenzene;1,2,3,4,5-pentafluoro-6-prop-2-enylbenzene;1,2,3-trifluoro-5-methylbenzene;hydrate
CID 167511918
tris(2,4,5-trifluoro-3-methylphenyl)bismuthane
CID 22568440
1,4-diethyl-2,3,5,6-tetrafluorobenzene;1-ethyl-4-(4-ethyl-2,3,5,6-tetrafluorophenyl)-2,3,5,6-tetrafluorobenzene
CID 162052100
bis(2,3,4,5,6-pentafluorophenyl)-(2,3,5,6-tetrafluoro-4-methylphenyl)-(2,3,4,6-tetrafluorophenyl)boranuide
CID 162205470
1,2-dichloro-3-ethyl-4,6-difluoro-5-methylbenzene
CID 167152424
1,2,3,5-tetrafluoro-4-propylbenzene
CID 88575988
2,3-dichloro-4-ethyl-1,5-difluorobenzene
CID 155190047
1-chloro-2-ethyl-3,5,6-trifluoro-4-methylbenzene
CID 166765212

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2,3,4,5,6-pentafluorobenzene;1,2,4,5-tetrafluoro-3-methylbenzene?
The IUPAC name of 1-ethyl-2,3,4,5,6-pentafluorobenzene;1,2,4,5-tetrafluoro-3-methylbenzene (CID 144965561) is 1-ethyl-2,3,4,5,6-pentafluorobenzene;1,2,4,5-tetrafluoro-3-methylbenzene.
What is the SMILES notation for 1-ethyl-2,3,4,5,6-pentafluorobenzene;1,2,4,5-tetrafluoro-3-methylbenzene?
The canonical SMILES for 1-ethyl-2,3,4,5,6-pentafluorobenzene;1,2,4,5-tetrafluoro-3-methylbenzene is CCc1c(F)c(F)c(F)c(F)c1F.Cc1c(F)c(F)cc(F)c1F.
What is the InChIKey of 1-ethyl-2,3,4,5,6-pentafluorobenzene;1,2,4,5-tetrafluoro-3-methylbenzene?
The InChIKey is KHINUTXFBBBUJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5F5.C7H4F4/c1-2-3-4(9)6(11)8(13)7(12)5(3)10;1-3-6(10)4(8)2-5(9)7(3)11/h2H2,1H3;2H,1H3.
What are the key properties of 1-ethyl-2,3,4,5,6-pentafluorobenzene;1,2,4,5-tetrafluoro-3-methylbenzene?
1-ethyl-2,3,4,5,6-pentafluorobenzene;1,2,4,5-tetrafluoro-3-methylbenzene has a molecular weight of 360.22 g/mol, XLogP of 5.50, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2,3,4,5,6-pentafluorobenzene;1,2,4,5-tetrafluoro-3-methylbenzene is sourced from PubChem (CID 144965561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).