5-(4-bromophenyl)-2,2-difluoro-N-phenylfuran-3-imine

C16H10BrF2NO — CID 53388125

IUPAC5-(4-bromophenyl)-2,2-difluoro-N-phenylfuran-3-imine
SMILESFC1(F)OC(c2ccc(Br)cc2)=C/C1=N\c1ccccc1
InChIInChI=1S/C16H10BrF2NO/c17-12-8-6-11(7-9-12)14-10-15(16(18,19)21-14)20-13-4-2-1-3-5-13/h1-10H/b20-15+
InChIKeyRLTLKNGJPAPXGD-HMMYKYKNSA-N
MW350.16 g/mol
LogP5.19
Rot. Bonds2

About 5-(4-bromophenyl)-2,2-difluoro-N-phenylfuran-3-imine

5-(4-bromophenyl)-2,2-difluoro-N-phenylfuran-3-imine (PubChem CID 53388125) has the molecular formula C16H10BrF2NO and a molecular weight of 350.16 g/mol. Its IUPAC name is 5-(4-bromophenyl)-2,2-difluoro-N-phenylfuran-3-imine.

Molecular Properties

Compound Name5-(4-bromophenyl)-2,2-difluoro-N-phenylfuran-3-imine
PubChem CID53388125
Molecular FormulaC16H10BrF2NO
Molecular Weight350.16 g/mol
Exact Mass348.99
IUPAC Name5-(4-bromophenyl)-2,2-difluoro-N-phenylfuran-3-imine
SMILESFC1(F)OC(c2ccc(Br)cc2)=C/C1=N\c1ccccc1
InChIInChI=1S/C16H10BrF2NO/c17-12-8-6-11(7-9-12)14-10-15(16(18,19)21-14)20-13-4-2-1-3-5-13/h1-10H/b20-15+
InChIKeyRLTLKNGJPAPXGD-HMMYKYKNSA-N
XLogP5.19
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.16
LogP ≤ 55.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 139193450
1-(4-bromophenyl)-3-[4-[4-[3-(4-bromophenyl)-5-(4-phenylphenyl)phenyl]phenyl]phenyl]-5-(4-phenylphenyl)benzene
CID 102428633
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CID 135086325
bromo(413C)cyclohexatriene
CID 66995401
1-bromo-4-[4-[4-(4-bromophenyl)phenyl]phenyl]benzene
CID 59775505
bromo(113C)cyclohexatriene
CID 11094888
1-bromo-4-phenylbenzene;N-methylmethanamine
CID 66862098
2-methyl-2-methylsulfanyl-5-phenylfuran-3-one
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CID 9498320

Frequently Asked Questions

What is the IUPAC name of 5-(4-bromophenyl)-2,2-difluoro-N-phenylfuran-3-imine?
The IUPAC name of 5-(4-bromophenyl)-2,2-difluoro-N-phenylfuran-3-imine (CID 53388125) is 5-(4-bromophenyl)-2,2-difluoro-N-phenylfuran-3-imine.
What is the SMILES notation for 5-(4-bromophenyl)-2,2-difluoro-N-phenylfuran-3-imine?
The canonical SMILES for 5-(4-bromophenyl)-2,2-difluoro-N-phenylfuran-3-imine is FC1(F)OC(c2ccc(Br)cc2)=C/C1=N\c1ccccc1.
What is the InChIKey of 5-(4-bromophenyl)-2,2-difluoro-N-phenylfuran-3-imine?
The InChIKey is RLTLKNGJPAPXGD-HMMYKYKNSA-N. The full InChI is InChI=1S/C16H10BrF2NO/c17-12-8-6-11(7-9-12)14-10-15(16(18,19)21-14)20-13-4-2-1-3-5-13/h1-10H/b20-15+.
What are the key properties of 5-(4-bromophenyl)-2,2-difluoro-N-phenylfuran-3-imine?
5-(4-bromophenyl)-2,2-difluoro-N-phenylfuran-3-imine has a molecular weight of 350.16 g/mol, XLogP of 5.19, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-bromophenyl)-2,2-difluoro-N-phenylfuran-3-imine is sourced from PubChem (CID 53388125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).