1,3,5-tris(chloromethyl)-2,4,6-trifluorobenzene

C9H6Cl3F3 — CID 139197978

IUPAC1,3,5-tris(chloromethyl)-2,4,6-trifluorobenzene
SMILESFc1c(CCl)c(F)c(CCl)c(F)c1CCl
InChIInChI=1S/C9H6Cl3F3/c10-1-4-7(13)5(2-11)9(15)6(3-12)8(4)14/h1-3H2
InChIKeyBJQQRDDSMJAPGH-UHFFFAOYSA-N
MW277.50 g/mol
LogP4.32
Rot. Bonds3

About 1,3,5-tris(chloromethyl)-2,4,6-trifluorobenzene

1,3,5-tris(chloromethyl)-2,4,6-trifluorobenzene (PubChem CID 139197978) has the molecular formula C9H6Cl3F3 and a molecular weight of 277.50 g/mol. Its IUPAC name is 1,3,5-tris(chloromethyl)-2,4,6-trifluorobenzene.

Molecular Properties

Compound Name1,3,5-tris(chloromethyl)-2,4,6-trifluorobenzene
PubChem CID139197978
Molecular FormulaC9H6Cl3F3
Molecular Weight277.50 g/mol
Exact Mass275.95
IUPAC Name1,3,5-tris(chloromethyl)-2,4,6-trifluorobenzene
SMILESFc1c(CCl)c(F)c(CCl)c(F)c1CCl
InChIInChI=1S/C9H6Cl3F3/c10-1-4-7(13)5(2-11)9(15)6(3-12)8(4)14/h1-3H2
InChIKeyBJQQRDDSMJAPGH-UHFFFAOYSA-N
XLogP4.32
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.50
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,3,5-tris(chloromethyl)-2,4,6-trifluorobenzene?
The IUPAC name of 1,3,5-tris(chloromethyl)-2,4,6-trifluorobenzene (CID 139197978) is 1,3,5-tris(chloromethyl)-2,4,6-trifluorobenzene.
What is the SMILES notation for 1,3,5-tris(chloromethyl)-2,4,6-trifluorobenzene?
The canonical SMILES for 1,3,5-tris(chloromethyl)-2,4,6-trifluorobenzene is Fc1c(CCl)c(F)c(CCl)c(F)c1CCl.
What is the InChIKey of 1,3,5-tris(chloromethyl)-2,4,6-trifluorobenzene?
The InChIKey is BJQQRDDSMJAPGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6Cl3F3/c10-1-4-7(13)5(2-11)9(15)6(3-12)8(4)14/h1-3H2.
What are the key properties of 1,3,5-tris(chloromethyl)-2,4,6-trifluorobenzene?
1,3,5-tris(chloromethyl)-2,4,6-trifluorobenzene has a molecular weight of 277.50 g/mol, XLogP of 4.32, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,5-tris(chloromethyl)-2,4,6-trifluorobenzene is sourced from PubChem (CID 139197978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).