1-[bromo(difluoro)methyl]-3-(difluoromethyl)-2,4,5,6-tetrafluorobenzene

C8HBrF8 — CID 87177208

IUPAC1-[bromo(difluoro)methyl]-3-(difluoromethyl)-2,4,5,6-tetrafluorobenzene
SMILESFc1c(F)c(C(F)F)c(F)c(C(F)(F)Br)c1F
InChIInChI=1S/C8HBrF8/c9-8(16,17)2-3(10)1(7(14)15)4(11)6(13)5(2)12/h7H
InChIKeyMWIZDRZJSONQRP-UHFFFAOYSA-N
MW328.98 g/mol
LogP4.62
Rot. Bonds2

About 1-[bromo(difluoro)methyl]-3-(difluoromethyl)-2,4,5,6-tetrafluorobenzene

1-[bromo(difluoro)methyl]-3-(difluoromethyl)-2,4,5,6-tetrafluorobenzene (PubChem CID 87177208) has the molecular formula C8HBrF8 and a molecular weight of 328.98 g/mol. Its IUPAC name is 1-[bromo(difluoro)methyl]-3-(difluoromethyl)-2,4,5,6-tetrafluorobenzene.

Molecular Properties

Compound Name1-[bromo(difluoro)methyl]-3-(difluoromethyl)-2,4,5,6-tetrafluorobenzene
PubChem CID87177208
Molecular FormulaC8HBrF8
Molecular Weight328.98 g/mol
Exact Mass327.91
IUPAC Name1-[bromo(difluoro)methyl]-3-(difluoromethyl)-2,4,5,6-tetrafluorobenzene
SMILESFc1c(F)c(C(F)F)c(F)c(C(F)(F)Br)c1F
InChIInChI=1S/C8HBrF8/c9-8(16,17)2-3(10)1(7(14)15)4(11)6(13)5(2)12/h7H
InChIKeyMWIZDRZJSONQRP-UHFFFAOYSA-N
XLogP4.62
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.98
LogP ≤ 54.62
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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Frequently Asked Questions

What is the IUPAC name of 1-[bromo(difluoro)methyl]-3-(difluoromethyl)-2,4,5,6-tetrafluorobenzene?
The IUPAC name of 1-[bromo(difluoro)methyl]-3-(difluoromethyl)-2,4,5,6-tetrafluorobenzene (CID 87177208) is 1-[bromo(difluoro)methyl]-3-(difluoromethyl)-2,4,5,6-tetrafluorobenzene.
What is the SMILES notation for 1-[bromo(difluoro)methyl]-3-(difluoromethyl)-2,4,5,6-tetrafluorobenzene?
The canonical SMILES for 1-[bromo(difluoro)methyl]-3-(difluoromethyl)-2,4,5,6-tetrafluorobenzene is Fc1c(F)c(C(F)F)c(F)c(C(F)(F)Br)c1F.
What is the InChIKey of 1-[bromo(difluoro)methyl]-3-(difluoromethyl)-2,4,5,6-tetrafluorobenzene?
The InChIKey is MWIZDRZJSONQRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8HBrF8/c9-8(16,17)2-3(10)1(7(14)15)4(11)6(13)5(2)12/h7H.
What are the key properties of 1-[bromo(difluoro)methyl]-3-(difluoromethyl)-2,4,5,6-tetrafluorobenzene?
1-[bromo(difluoro)methyl]-3-(difluoromethyl)-2,4,5,6-tetrafluorobenzene has a molecular weight of 328.98 g/mol, XLogP of 4.62, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[bromo(difluoro)methyl]-3-(difluoromethyl)-2,4,5,6-tetrafluorobenzene is sourced from PubChem (CID 87177208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).