2,4-dibromo-6-[(4-fluorophenyl)methyliminomethyl]phenol

C14H10Br2FNO — CID 1482590

IUPAC2,4-dibromo-6-[(4-fluorophenyl)methyliminomethyl]phenol
SMILESOc1c(Br)cc(Br)cc1/C=N/Cc1ccc(F)cc1
InChIInChI=1S/C14H10Br2FNO/c15-11-5-10(14(19)13(16)6-11)8-18-7-9-1-3-12(17)4-2-9/h1-6,8,19H,7H2/b18-8+
InChIKeyRHOVHTSGPYTOHP-QGMBQPNBSA-N
MW387.05 g/mol
LogP4.68
Rot. Bonds3

About 2,4-dibromo-6-[(4-fluorophenyl)methyliminomethyl]phenol

2,4-dibromo-6-[(4-fluorophenyl)methyliminomethyl]phenol (PubChem CID 1482590) has the molecular formula C14H10Br2FNO and a molecular weight of 387.05 g/mol. Its IUPAC name is 2,4-dibromo-6-[(4-fluorophenyl)methyliminomethyl]phenol.

Molecular Properties

Compound Name2,4-dibromo-6-[(4-fluorophenyl)methyliminomethyl]phenol
PubChem CID1482590
Molecular FormulaC14H10Br2FNO
Molecular Weight387.05 g/mol
Exact Mass384.91
IUPAC Name2,4-dibromo-6-[(4-fluorophenyl)methyliminomethyl]phenol
SMILESOc1c(Br)cc(Br)cc1/C=N/Cc1ccc(F)cc1
InChIInChI=1S/C14H10Br2FNO/c15-11-5-10(14(19)13(16)6-11)8-18-7-9-1-3-12(17)4-2-9/h1-6,8,19H,7H2/b18-8+
InChIKeyRHOVHTSGPYTOHP-QGMBQPNBSA-N
XLogP4.68
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.05
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,4-dibromo-6-[(4-fluorophenyl)methyliminomethyl]phenol?
The IUPAC name of 2,4-dibromo-6-[(4-fluorophenyl)methyliminomethyl]phenol (CID 1482590) is 2,4-dibromo-6-[(4-fluorophenyl)methyliminomethyl]phenol.
What is the SMILES notation for 2,4-dibromo-6-[(4-fluorophenyl)methyliminomethyl]phenol?
The canonical SMILES for 2,4-dibromo-6-[(4-fluorophenyl)methyliminomethyl]phenol is Oc1c(Br)cc(Br)cc1/C=N/Cc1ccc(F)cc1.
What is the InChIKey of 2,4-dibromo-6-[(4-fluorophenyl)methyliminomethyl]phenol?
The InChIKey is RHOVHTSGPYTOHP-QGMBQPNBSA-N. The full InChI is InChI=1S/C14H10Br2FNO/c15-11-5-10(14(19)13(16)6-11)8-18-7-9-1-3-12(17)4-2-9/h1-6,8,19H,7H2/b18-8+.
What are the key properties of 2,4-dibromo-6-[(4-fluorophenyl)methyliminomethyl]phenol?
2,4-dibromo-6-[(4-fluorophenyl)methyliminomethyl]phenol has a molecular weight of 387.05 g/mol, XLogP of 4.68, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dibromo-6-[(4-fluorophenyl)methyliminomethyl]phenol is sourced from PubChem (CID 1482590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).