2-bromo-4-[(2,5-difluoroanilino)methyl]phenol

C13H10BrF2NO — CID 63045325

IUPAC2-bromo-4-[(2,5-difluoroanilino)methyl]phenol
SMILESOc1ccc(CNc2cc(F)ccc2F)cc1Br
InChIInChI=1S/C13H10BrF2NO/c14-10-5-8(1-4-13(10)18)7-17-12-6-9(15)2-3-11(12)16/h1-6,17-18H,7H2
InChIKeyIDFHLHRMXIQQBB-UHFFFAOYSA-N
MW314.13 g/mol
LogP4.05
Rot. Bonds3

About 2-bromo-4-[(2,5-difluoroanilino)methyl]phenol

2-bromo-4-[(2,5-difluoroanilino)methyl]phenol (PubChem CID 63045325) has the molecular formula C13H10BrF2NO and a molecular weight of 314.13 g/mol. Its IUPAC name is 2-bromo-4-[(2,5-difluoroanilino)methyl]phenol.

Molecular Properties

Compound Name2-bromo-4-[(2,5-difluoroanilino)methyl]phenol
PubChem CID63045325
Molecular FormulaC13H10BrF2NO
Molecular Weight314.13 g/mol
Exact Mass312.99
IUPAC Name2-bromo-4-[(2,5-difluoroanilino)methyl]phenol
SMILESOc1ccc(CNc2cc(F)ccc2F)cc1Br
InChIInChI=1S/C13H10BrF2NO/c14-10-5-8(1-4-13(10)18)7-17-12-6-9(15)2-3-11(12)16/h1-6,17-18H,7H2
InChIKeyIDFHLHRMXIQQBB-UHFFFAOYSA-N
XLogP4.05
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.13
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-bromo-4-[(2,3,4-trifluoroanilino)methyl]phenol
CID 63045152
2-bromo-4-[(4-fluoro-2-iodoanilino)methyl]phenol
CID 79769373
N-[(4-bromo-3-chlorophenyl)methyl]-2,5-difluoroaniline
CID 114076366
2-bromo-4-[(2-ethoxy-4-fluoroanilino)methyl]phenol
CID 63047094
[4-[(2,5-difluoroanilino)methyl]phenyl]methanol
CID 110006440
2-bromo-4-[(2,3,5,6-tetrafluoroanilino)methyl]phenol
CID 107643664
N-[(3-bromo-4-fluorophenyl)methyl]-5-chloro-2-fluoroaniline
CID 43381912
4-[(5-bromo-2,4-difluoroanilino)methyl]-2-fluorophenol
CID 107686072
N-[(3-bromo-4-fluorophenyl)methyl]-2-chloro-4-fluoroaniline
CID 29079789
N-[[4-(aminomethyl)phenyl]methyl]-2,5-difluoroaniline
CID 115213122
N-[(3-bromo-4-fluorophenyl)methyl]-2,3,5-trifluoroaniline
CID 62809903
4-[(2,5-difluoroanilino)methyl]benzoic acid
CID 55049553

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-[(2,5-difluoroanilino)methyl]phenol?
The IUPAC name of 2-bromo-4-[(2,5-difluoroanilino)methyl]phenol (CID 63045325) is 2-bromo-4-[(2,5-difluoroanilino)methyl]phenol.
What is the SMILES notation for 2-bromo-4-[(2,5-difluoroanilino)methyl]phenol?
The canonical SMILES for 2-bromo-4-[(2,5-difluoroanilino)methyl]phenol is Oc1ccc(CNc2cc(F)ccc2F)cc1Br.
What is the InChIKey of 2-bromo-4-[(2,5-difluoroanilino)methyl]phenol?
The InChIKey is IDFHLHRMXIQQBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrF2NO/c14-10-5-8(1-4-13(10)18)7-17-12-6-9(15)2-3-11(12)16/h1-6,17-18H,7H2.
What are the key properties of 2-bromo-4-[(2,5-difluoroanilino)methyl]phenol?
2-bromo-4-[(2,5-difluoroanilino)methyl]phenol has a molecular weight of 314.13 g/mol, XLogP of 4.05, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-[(2,5-difluoroanilino)methyl]phenol is sourced from PubChem (CID 63045325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).