1,2,3,4,5-pentafluoro-6-(trichloromethyl)benzene

C7Cl3F5 — CID 2782621

IUPAC1,2,3,4,5-pentafluoro-6-(trichloromethyl)benzene
SMILESFc1c(F)c(F)c(C(Cl)(Cl)Cl)c(F)c1F
InChIInChI=1S/C7Cl3F5/c8-7(9,10)1-2(11)4(13)6(15)5(14)3(1)12
InChIKeyVYXYRHITHKKNMG-UHFFFAOYSA-N
MW285.43 g/mol
LogP4.21
Rot. Bonds

About 1,2,3,4,5-pentafluoro-6-(trichloromethyl)benzene

1,2,3,4,5-pentafluoro-6-(trichloromethyl)benzene (PubChem CID 2782621) has the molecular formula C7Cl3F5 and a molecular weight of 285.43 g/mol. Its IUPAC name is 1,2,3,4,5-pentafluoro-6-(trichloromethyl)benzene.

Molecular Properties

Compound Name1,2,3,4,5-pentafluoro-6-(trichloromethyl)benzene
PubChem CID2782621
Molecular FormulaC7Cl3F5
Molecular Weight285.43 g/mol
Exact Mass283.90
IUPAC Name1,2,3,4,5-pentafluoro-6-(trichloromethyl)benzene
SMILESFc1c(F)c(F)c(C(Cl)(Cl)Cl)c(F)c1F
InChIInChI=1S/C7Cl3F5/c8-7(9,10)1-2(11)4(13)6(15)5(14)3(1)12
InChIKeyVYXYRHITHKKNMG-UHFFFAOYSA-N
XLogP4.21
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.43
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

Octafluorotoluene
CID 9906
(Chloromethyl)pentafluorobenzene
CID 69557
1,2,4,5-Tetrafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-6-(trichloromethyl)benzene
CID 13416585
3-Chloro-2,4,5,6-tetrafluorobenzotrifluoride
CID 2778195
2,6-Difluorobenzotrichloride
CID 607009
1,4-Bis(chloromethyl)-2,3,5,6-tetrafluorobenzene
CID 2756724
1-Chloro-2,3,5,6-tetrafluoro-4-(trifluoromethyl)benzene
CID 2782486
2,3,4,5,6-Pentafluoro(chlorodifluoromethyl)benzene
CID 12696400
3,5-Dichloro-2,4,6-trifluorobenzotrifluoride
CID 2782510
1,3-Bis(trichloromethyl)tetrafluorobenzene
CID 631627
1,4-Bis(trichloromethyl)tetrafluorobenzene
CID 631628
1,1,3-Trichloroperfluoro-2-methylindene
CID 12516163

Frequently Asked Questions

What is the IUPAC name of 1,2,3,4,5-pentafluoro-6-(trichloromethyl)benzene?
The IUPAC name of 1,2,3,4,5-pentafluoro-6-(trichloromethyl)benzene (CID 2782621) is 1,2,3,4,5-pentafluoro-6-(trichloromethyl)benzene.
What is the SMILES notation for 1,2,3,4,5-pentafluoro-6-(trichloromethyl)benzene?
The canonical SMILES for 1,2,3,4,5-pentafluoro-6-(trichloromethyl)benzene is Fc1c(F)c(F)c(C(Cl)(Cl)Cl)c(F)c1F.
What is the InChIKey of 1,2,3,4,5-pentafluoro-6-(trichloromethyl)benzene?
The InChIKey is VYXYRHITHKKNMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7Cl3F5/c8-7(9,10)1-2(11)4(13)6(15)5(14)3(1)12.
What are the key properties of 1,2,3,4,5-pentafluoro-6-(trichloromethyl)benzene?
1,2,3,4,5-pentafluoro-6-(trichloromethyl)benzene has a molecular weight of 285.43 g/mol, XLogP of 4.21, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4,5-pentafluoro-6-(trichloromethyl)benzene is sourced from PubChem (CID 2782621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).