1,2,3,4-tetrafluoro-5-[2-(trifluoromethyl)phenyl]benzene

C13H5F7 — CID 134617391

IUPAC1,2,3,4-tetrafluoro-5-[2-(trifluoromethyl)phenyl]benzene
SMILESFc1cc(-c2ccccc2C(F)(F)F)c(F)c(F)c1F
InChIInChI=1S/C13H5F7/c14-9-5-7(10(15)12(17)11(9)16)6-3-1-2-4-8(6)13(18,19)20/h1-5H
InChIKeyYYRBVYZQANKXRW-UHFFFAOYSA-N
MW294.17 g/mol
LogP4.93
Rot. Bonds1

About 1,2,3,4-tetrafluoro-5-[2-(trifluoromethyl)phenyl]benzene

1,2,3,4-tetrafluoro-5-[2-(trifluoromethyl)phenyl]benzene (PubChem CID 134617391) has the molecular formula C13H5F7 and a molecular weight of 294.17 g/mol. Its IUPAC name is 1,2,3,4-tetrafluoro-5-[2-(trifluoromethyl)phenyl]benzene.

Molecular Properties

Compound Name1,2,3,4-tetrafluoro-5-[2-(trifluoromethyl)phenyl]benzene
PubChem CID134617391
Molecular FormulaC13H5F7
Molecular Weight294.17 g/mol
Exact Mass294.03
IUPAC Name1,2,3,4-tetrafluoro-5-[2-(trifluoromethyl)phenyl]benzene
SMILESFc1cc(-c2ccccc2C(F)(F)F)c(F)c(F)c1F
InChIInChI=1S/C13H5F7/c14-9-5-7(10(15)12(17)11(9)16)6-3-1-2-4-8(6)13(18,19)20/h1-5H
InChIKeyYYRBVYZQANKXRW-UHFFFAOYSA-N
XLogP4.93
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.17
LogP ≤ 54.93
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-(trifluoromethyl)-2-[2-(trifluoromethyl)phenyl]benzene
CID 3013906
4,5-difluoro-2-[2-(trifluoromethyl)phenyl]phenol
CID 118823457
1,2-difluoro-4-methyl-5-[2-(trifluoromethyl)phenyl]benzene
CID 158879468
4-fluoro-3,5-bis[2-(trifluoromethyl)phenyl]pyridine
CID 133089510
4-(chloromethyl)-1-fluoro-2-[2-(trifluoromethyl)phenyl]benzene
CID 94297138
4-fluoro-3-[2-(trifluoromethyl)phenyl]aniline
CID 112694389
methyl 4,5-difluoro-2-[2-(trifluoromethyl)phenyl]benzoate
CID 118846081
1,3-difluoro-2-[2-(trifluoromethyl)phenyl]benzene
CID 118991852
1,3-difluoro-2-(trifluoromethyl)-5-[2-(trifluoromethyl)phenyl]benzene
CID 118846513
1-fluoro-2-methyl-3-[2-(trifluoromethyl)phenyl]benzene
CID 134626767
1,2-difluoro-4-[2-(trifluoromethyl)phenyl]benzene
CID 91807915
2,4-bis(trifluoromethyl)-1-[2-(trifluoromethyl)phenyl]benzene
CID 134617711

Frequently Asked Questions

What is the IUPAC name of 1,2,3,4-tetrafluoro-5-[2-(trifluoromethyl)phenyl]benzene?
The IUPAC name of 1,2,3,4-tetrafluoro-5-[2-(trifluoromethyl)phenyl]benzene (CID 134617391) is 1,2,3,4-tetrafluoro-5-[2-(trifluoromethyl)phenyl]benzene.
What is the SMILES notation for 1,2,3,4-tetrafluoro-5-[2-(trifluoromethyl)phenyl]benzene?
The canonical SMILES for 1,2,3,4-tetrafluoro-5-[2-(trifluoromethyl)phenyl]benzene is Fc1cc(-c2ccccc2C(F)(F)F)c(F)c(F)c1F.
What is the InChIKey of 1,2,3,4-tetrafluoro-5-[2-(trifluoromethyl)phenyl]benzene?
The InChIKey is YYRBVYZQANKXRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H5F7/c14-9-5-7(10(15)12(17)11(9)16)6-3-1-2-4-8(6)13(18,19)20/h1-5H.
What are the key properties of 1,2,3,4-tetrafluoro-5-[2-(trifluoromethyl)phenyl]benzene?
1,2,3,4-tetrafluoro-5-[2-(trifluoromethyl)phenyl]benzene has a molecular weight of 294.17 g/mol, XLogP of 4.93, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4-tetrafluoro-5-[2-(trifluoromethyl)phenyl]benzene is sourced from PubChem (CID 134617391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).