4-[(2-bromoanilino)methyl]-2,6-difluorophenol

C13H10BrF2NO — CID 79886224

IUPAC4-[(2-bromoanilino)methyl]-2,6-difluorophenol
SMILESOc1c(F)cc(CNc2ccccc2Br)cc1F
InChIInChI=1S/C13H10BrF2NO/c14-9-3-1-2-4-12(9)17-7-8-5-10(15)13(18)11(16)6-8/h1-6,17-18H,7H2
InChIKeyALRCZYHMDVDPFA-UHFFFAOYSA-N
MW314.13 g/mol
LogP4.05
Rot. Bonds3

About 4-[(2-bromoanilino)methyl]-2,6-difluorophenol

4-[(2-bromoanilino)methyl]-2,6-difluorophenol (PubChem CID 79886224) has the molecular formula C13H10BrF2NO and a molecular weight of 314.13 g/mol. Its IUPAC name is 4-[(2-bromoanilino)methyl]-2,6-difluorophenol.

Molecular Properties

Compound Name4-[(2-bromoanilino)methyl]-2,6-difluorophenol
PubChem CID79886224
Molecular FormulaC13H10BrF2NO
Molecular Weight314.13 g/mol
Exact Mass312.99
IUPAC Name4-[(2-bromoanilino)methyl]-2,6-difluorophenol
SMILESOc1c(F)cc(CNc2ccccc2Br)cc1F
InChIInChI=1S/C13H10BrF2NO/c14-9-3-1-2-4-12(9)17-7-8-5-10(15)13(18)11(16)6-8/h1-6,17-18H,7H2
InChIKeyALRCZYHMDVDPFA-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

4-[(2-chloroanilino)methyl]-2,6-difluorophenol
CID 79886747
2,6-difluoro-4-[[2-(trifluoromethyl)anilino]methyl]phenol
CID 79881281
4-[[2-(difluoromethylsulfanyl)anilino]methyl]-2,6-difluorophenol
CID 79881285
4-[[2-(difluoromethoxy)anilino]methyl]-2,6-difluorophenol
CID 79881310
4-[(5-bromo-2-chloroanilino)methyl]-2,6-difluorophenol
CID 79891306
methyl 4-[(2-bromoanilino)methyl]-2-fluorobenzoate
CID 106699571
2,6-difluoro-4-[[(2-methyl-3-pyridinyl)amino]methyl]phenol
CID 79892131
4-[[2-(ethoxymethyl)anilino]methyl]-2,6-difluorophenol
CID 79832570
5-[(2-bromoanilino)methyl]-2-fluorobenzonitrile
CID 103756645
4-[(2-bromo-4,6-difluoroanilino)methyl]-2,6-difluorophenol
CID 79891767
2-[(2-bromoanilino)methyl]phenol;hydrochloride
CID 126460187
2-bromo-N-[[4-(trifluoromethyl)phenyl]methyl]aniline
CID 29031697

Frequently Asked Questions

What is the IUPAC name of 4-[(2-bromoanilino)methyl]-2,6-difluorophenol?
The IUPAC name of 4-[(2-bromoanilino)methyl]-2,6-difluorophenol (CID 79886224) is 4-[(2-bromoanilino)methyl]-2,6-difluorophenol.
What is the SMILES notation for 4-[(2-bromoanilino)methyl]-2,6-difluorophenol?
The canonical SMILES for 4-[(2-bromoanilino)methyl]-2,6-difluorophenol is Oc1c(F)cc(CNc2ccccc2Br)cc1F.
What is the InChIKey of 4-[(2-bromoanilino)methyl]-2,6-difluorophenol?
The InChIKey is ALRCZYHMDVDPFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrF2NO/c14-9-3-1-2-4-12(9)17-7-8-5-10(15)13(18)11(16)6-8/h1-6,17-18H,7H2.
What are the key properties of 4-[(2-bromoanilino)methyl]-2,6-difluorophenol?
4-[(2-bromoanilino)methyl]-2,6-difluorophenol 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 4-[(2-bromoanilino)methyl]-2,6-difluorophenol is sourced from PubChem (CID 79886224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).