1,2,4,5-tetrafluoro-3-(2,3,4-trifluorophenyl)benzene

C12H3F7 — CID 164665926

IUPAC1,2,4,5-tetrafluoro-3-(2,3,4-trifluorophenyl)benzene
SMILESFc1ccc(-c2c(F)c(F)cc(F)c2F)c(F)c1F
InChIInChI=1S/C12H3F7/c13-5-2-1-4(9(16)12(5)19)8-10(17)6(14)3-7(15)11(8)18/h1-3H
InChIKeyPRSVWMKGTDETMF-UHFFFAOYSA-N
MW280.14 g/mol
LogP4.33
Rot. Bonds1

About 1,2,4,5-tetrafluoro-3-(2,3,4-trifluorophenyl)benzene

1,2,4,5-tetrafluoro-3-(2,3,4-trifluorophenyl)benzene (PubChem CID 164665926) has the molecular formula C12H3F7 and a molecular weight of 280.14 g/mol. Its IUPAC name is 1,2,4,5-tetrafluoro-3-(2,3,4-trifluorophenyl)benzene.

Molecular Properties

Compound Name1,2,4,5-tetrafluoro-3-(2,3,4-trifluorophenyl)benzene
PubChem CID164665926
Molecular FormulaC12H3F7
Molecular Weight280.14 g/mol
Exact Mass280.01
IUPAC Name1,2,4,5-tetrafluoro-3-(2,3,4-trifluorophenyl)benzene
SMILESFc1ccc(-c2c(F)c(F)cc(F)c2F)c(F)c1F
InChIInChI=1S/C12H3F7/c13-5-2-1-4(9(16)12(5)19)8-10(17)6(14)3-7(15)11(8)18/h1-3H
InChIKeyPRSVWMKGTDETMF-UHFFFAOYSA-N
XLogP4.33
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.14
LogP ≤ 54.33
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

1,2,3-trifluoro-4-[2-(2,3,4-trifluorophenyl)phenyl]benzene
CID 123622255
1-(2,4-difluorophenyl)-2,3,4-trifluorobenzene
CID 90766512
1,2,3,4,5-pentafluoro-6-(2,3,4-trifluorophenyl)benzene;N-propylpropan-1-amine
CID 160588868
CID 172801487
CID 172801487
3-(2,3-dichlorophenyl)-1,2,4,5-tetrafluorobenzene
CID 118803913
magnesium;1,2,3,4,5-pentafluorobenzene;dibromide
CID 157145782
4-(2,4-difluoro-3-hydroxyphenyl)-2,3,5,6-tetrafluorophenol
CID 87916814
4-(2,3,4-trifluorophenyl)aniline
CID 62965800
3-fluoro-4-(2,3,4-trifluorophenyl)benzaldehyde
CID 81448027
2-(2,3,4-trifluorophenyl)-1,3,5-triazine
CID 175245478
4-fluoro-2-methyl-5-(2,3,4-trifluorophenyl)aniline
CID 107593669
ethane;fluoromethane;1,2,3,4,5-pentafluorobenzene
CID 165395755

Frequently Asked Questions

What is the IUPAC name of 1,2,4,5-tetrafluoro-3-(2,3,4-trifluorophenyl)benzene?
The IUPAC name of 1,2,4,5-tetrafluoro-3-(2,3,4-trifluorophenyl)benzene (CID 164665926) is 1,2,4,5-tetrafluoro-3-(2,3,4-trifluorophenyl)benzene.
What is the SMILES notation for 1,2,4,5-tetrafluoro-3-(2,3,4-trifluorophenyl)benzene?
The canonical SMILES for 1,2,4,5-tetrafluoro-3-(2,3,4-trifluorophenyl)benzene is Fc1ccc(-c2c(F)c(F)cc(F)c2F)c(F)c1F.
What is the InChIKey of 1,2,4,5-tetrafluoro-3-(2,3,4-trifluorophenyl)benzene?
The InChIKey is PRSVWMKGTDETMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H3F7/c13-5-2-1-4(9(16)12(5)19)8-10(17)6(14)3-7(15)11(8)18/h1-3H.
What are the key properties of 1,2,4,5-tetrafluoro-3-(2,3,4-trifluorophenyl)benzene?
1,2,4,5-tetrafluoro-3-(2,3,4-trifluorophenyl)benzene has a molecular weight of 280.14 g/mol, XLogP of 4.33, 1 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-(2,3,4-trifluorophenyl)benzene is sourced from PubChem (CID 164665926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).