1-(2,6-dichlorophenyl)-2,3,5-trifluorobenzene

C12H5Cl2F3 — CID 119023512

IUPAC1-(2,6-dichlorophenyl)-2,3,5-trifluorobenzene
SMILESFc1cc(F)c(F)c(-c2c(Cl)cccc2Cl)c1
InChIInChI=1S/C12H5Cl2F3/c13-8-2-1-3-9(14)11(8)7-4-6(15)5-10(16)12(7)17/h1-5H
InChIKeyDCRNVHKDQPXGSL-UHFFFAOYSA-N
MW277.07 g/mol
LogP5.08
Rot. Bonds1

About 1-(2,6-dichlorophenyl)-2,3,5-trifluorobenzene

1-(2,6-dichlorophenyl)-2,3,5-trifluorobenzene (PubChem CID 119023512) has the molecular formula C12H5Cl2F3 and a molecular weight of 277.07 g/mol. Its IUPAC name is 1-(2,6-dichlorophenyl)-2,3,5-trifluorobenzene.

Molecular Properties

Compound Name1-(2,6-dichlorophenyl)-2,3,5-trifluorobenzene
PubChem CID119023512
Molecular FormulaC12H5Cl2F3
Molecular Weight277.07 g/mol
Exact Mass275.97
IUPAC Name1-(2,6-dichlorophenyl)-2,3,5-trifluorobenzene
SMILESFc1cc(F)c(F)c(-c2c(Cl)cccc2Cl)c1
InChIInChI=1S/C12H5Cl2F3/c13-8-2-1-3-9(14)11(8)7-4-6(15)5-10(16)12(7)17/h1-5H
InChIKeyDCRNVHKDQPXGSL-UHFFFAOYSA-N
XLogP5.08
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500277.07
LogP ≤ 55.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

2-(2,6-dichlorophenyl)-4,5-difluorophenol
CID 119020027
3-(2,3-dichlorophenyl)-1,2,4,5-tetrafluorobenzene
CID 118803913
3-(2,6-dichlorophenyl)-5-fluoro-1H-pyridin-2-one
CID 133092688
1,2,4-trifluoro-3-[2-(2,3,5-trifluorophenyl)phenyl]benzene
CID 161120611
[4-(2,6-dichlorophenyl)-6-fluoro-1,3-benzodioxol-2-yl]methanol
CID 69259667
1-chloro-2-(2,4-difluorophenyl)-3-methylbenzene;ethane
CID 156797432
2-[4-(2,6-dichlorophenyl)-3-fluorophenyl]ethanamine
CID 118841835
[7-(2,6-dichlorophenyl)-5-fluoro-3,3-dihydroxy-1,3λ4-benzoxathiol-2-yl]methanamine
CID 68604625
2-(bromomethyl)-1-(2,6-dichlorophenyl)-3-fluorobenzene
CID 134619388
1-[7-(2,6-dichlorophenyl)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]-N-methylmethanamine;hydrochloride
CID 141132350
[2-(2,3,5-trifluorophenyl)phenyl]azanium
CID 22348855
[5-(2,6-dichlorophenyl)-2-fluorophenyl]methanamine
CID 134631446

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dichlorophenyl)-2,3,5-trifluorobenzene?
The IUPAC name of 1-(2,6-dichlorophenyl)-2,3,5-trifluorobenzene (CID 119023512) is 1-(2,6-dichlorophenyl)-2,3,5-trifluorobenzene.
What is the SMILES notation for 1-(2,6-dichlorophenyl)-2,3,5-trifluorobenzene?
The canonical SMILES for 1-(2,6-dichlorophenyl)-2,3,5-trifluorobenzene is Fc1cc(F)c(F)c(-c2c(Cl)cccc2Cl)c1.
What is the InChIKey of 1-(2,6-dichlorophenyl)-2,3,5-trifluorobenzene?
The InChIKey is DCRNVHKDQPXGSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H5Cl2F3/c13-8-2-1-3-9(14)11(8)7-4-6(15)5-10(16)12(7)17/h1-5H.
What are the key properties of 1-(2,6-dichlorophenyl)-2,3,5-trifluorobenzene?
1-(2,6-dichlorophenyl)-2,3,5-trifluorobenzene has a molecular weight of 277.07 g/mol, XLogP of 5.08, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dichlorophenyl)-2,3,5-trifluorobenzene is sourced from PubChem (CID 119023512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).