1-chloro-2,3,5,6-tetrafluoro-4-(trifluoromethyl)benzene

C7ClF7 — CID 2782486

IUPAC1-chloro-2,3,5,6-tetrafluoro-4-(trifluoromethyl)benzene
SMILESFc1c(F)c(C(F)(F)F)c(F)c(F)c1Cl
InChIInChI=1S/C7ClF7/c8-2-5(11)3(9)1(7(13,14)15)4(10)6(2)12
InChIKeyIPTYTRQLTKNHAM-UHFFFAOYSA-N
MW252.52 g/mol
LogP3.92
Rot. Bonds

About 1-chloro-2,3,5,6-tetrafluoro-4-(trifluoromethyl)benzene

1-chloro-2,3,5,6-tetrafluoro-4-(trifluoromethyl)benzene (PubChem CID 2782486) has the molecular formula C7ClF7 and a molecular weight of 252.52 g/mol. Its IUPAC name is 1-chloro-2,3,5,6-tetrafluoro-4-(trifluoromethyl)benzene.

Molecular Properties

Compound Name1-chloro-2,3,5,6-tetrafluoro-4-(trifluoromethyl)benzene
PubChem CID2782486
Molecular FormulaC7ClF7
Molecular Weight252.52 g/mol
Exact Mass251.96
IUPAC Name1-chloro-2,3,5,6-tetrafluoro-4-(trifluoromethyl)benzene
SMILESFc1c(F)c(C(F)(F)F)c(F)c(F)c1Cl
InChIInChI=1S/C7ClF7/c8-2-5(11)3(9)1(7(13,14)15)4(10)6(2)12
InChIKeyIPTYTRQLTKNHAM-UHFFFAOYSA-N
XLogP3.92
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.52
LogP ≤ 53.92
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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Frequently Asked Questions

What is the IUPAC name of 1-chloro-2,3,5,6-tetrafluoro-4-(trifluoromethyl)benzene?
The IUPAC name of 1-chloro-2,3,5,6-tetrafluoro-4-(trifluoromethyl)benzene (CID 2782486) is 1-chloro-2,3,5,6-tetrafluoro-4-(trifluoromethyl)benzene.
What is the SMILES notation for 1-chloro-2,3,5,6-tetrafluoro-4-(trifluoromethyl)benzene?
The canonical SMILES for 1-chloro-2,3,5,6-tetrafluoro-4-(trifluoromethyl)benzene is Fc1c(F)c(C(F)(F)F)c(F)c(F)c1Cl.
What is the InChIKey of 1-chloro-2,3,5,6-tetrafluoro-4-(trifluoromethyl)benzene?
The InChIKey is IPTYTRQLTKNHAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7ClF7/c8-2-5(11)3(9)1(7(13,14)15)4(10)6(2)12.
What are the key properties of 1-chloro-2,3,5,6-tetrafluoro-4-(trifluoromethyl)benzene?
1-chloro-2,3,5,6-tetrafluoro-4-(trifluoromethyl)benzene has a molecular weight of 252.52 g/mol, XLogP of 3.92, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2,3,5,6-tetrafluoro-4-(trifluoromethyl)benzene is sourced from PubChem (CID 2782486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).