1-(2,4-difluorophenyl)-2,3,4-trifluorobenzene

C12H5F5 — CID 90766512

IUPAC1-(2,4-difluorophenyl)-2,3,4-trifluorobenzene
SMILESFc1ccc(-c2ccc(F)c(F)c2F)c(F)c1
InChIInChI=1S/C12H5F5/c13-6-1-2-7(10(15)5-6)8-3-4-9(14)12(17)11(8)16/h1-5H
InChIKeyBVBQKKRRVVJZMT-UHFFFAOYSA-N
MW244.16 g/mol
LogP4.05
Rot. Bonds1

About 1-(2,4-difluorophenyl)-2,3,4-trifluorobenzene

1-(2,4-difluorophenyl)-2,3,4-trifluorobenzene (PubChem CID 90766512) has the molecular formula C12H5F5 and a molecular weight of 244.16 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)-2,3,4-trifluorobenzene.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)-2,3,4-trifluorobenzene
PubChem CID90766512
Molecular FormulaC12H5F5
Molecular Weight244.16 g/mol
Exact Mass244.03
IUPAC Name1-(2,4-difluorophenyl)-2,3,4-trifluorobenzene
SMILESFc1ccc(-c2ccc(F)c(F)c2F)c(F)c1
InChIInChI=1S/C12H5F5/c13-6-1-2-7(10(15)5-6)8-3-4-9(14)12(17)11(8)16/h1-5H
InChIKeyBVBQKKRRVVJZMT-UHFFFAOYSA-N
XLogP4.05
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.16
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

3-fluoro-4-(2,3,4-trifluorophenyl)benzaldehyde
CID 81448027
1,2,3-trifluoro-4-[2-(2,3,4-trifluorophenyl)phenyl]benzene
CID 123622255
4-(2,4-difluorophenyl)-3-fluoroaniline
CID 57415152
1,2,4,5-tetrafluoro-3-(2,3,4-trifluorophenyl)benzene
CID 164665926
7-fluoro-2-(2,3,4-trifluorophenyl)quinazolin-4-amine
CID 79755415
4-fluoro-2-methyl-5-(2,3,4-trifluorophenyl)aniline
CID 107593669
3-(2,4-difluorophenyl)-4-fluorobenzoic acid
CID 52984009
9-(2,4-difluorophenyl)-10-(2,3,5,6-tetrafluorophenyl)anthracene
CID 88877561
[5-chloro-2-(2,4-difluorophenyl)phenyl]methanamine
CID 66159329
5-chloro-2-(2,4-difluorophenyl)benzaldehyde
CID 66158909
magnesium;hydride;1,2,4-trifluorobenzene
CID 174647436
5-amino-2-(2,4-difluorophenyl)phenol
CID 171391098

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)-2,3,4-trifluorobenzene?
The IUPAC name of 1-(2,4-difluorophenyl)-2,3,4-trifluorobenzene (CID 90766512) is 1-(2,4-difluorophenyl)-2,3,4-trifluorobenzene.
What is the SMILES notation for 1-(2,4-difluorophenyl)-2,3,4-trifluorobenzene?
The canonical SMILES for 1-(2,4-difluorophenyl)-2,3,4-trifluorobenzene is Fc1ccc(-c2ccc(F)c(F)c2F)c(F)c1.
What is the InChIKey of 1-(2,4-difluorophenyl)-2,3,4-trifluorobenzene?
The InChIKey is BVBQKKRRVVJZMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H5F5/c13-6-1-2-7(10(15)5-6)8-3-4-9(14)12(17)11(8)16/h1-5H.
What are the key properties of 1-(2,4-difluorophenyl)-2,3,4-trifluorobenzene?
1-(2,4-difluorophenyl)-2,3,4-trifluorobenzene has a molecular weight of 244.16 g/mol, XLogP of 4.05, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorophenyl)-2,3,4-trifluorobenzene is sourced from PubChem (CID 90766512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).