[5-fluoro-2-(methylamino)phenyl] hypobromite

C7H7BrFNO — CID 155307658

IUPAC[5-fluoro-2-(methylamino)phenyl] hypobromite
SMILESCNc1ccc(F)cc1OBr
InChIInChI=1S/C7H7BrFNO/c1-10-6-3-2-5(9)4-7(6)11-8/h2-4,10H,1H3
InChIKeyLBCMRJHVONNMTM-UHFFFAOYSA-N
MW220.04 g/mol
LogP2.56
Rot. Bonds2

About [5-fluoro-2-(methylamino)phenyl] hypobromite

[5-fluoro-2-(methylamino)phenyl] hypobromite (PubChem CID 155307658) has the molecular formula C7H7BrFNO and a molecular weight of 220.04 g/mol. Its IUPAC name is [5-fluoro-2-(methylamino)phenyl] hypobromite.

Molecular Properties

Compound Name[5-fluoro-2-(methylamino)phenyl] hypobromite
PubChem CID155307658
Molecular FormulaC7H7BrFNO
Molecular Weight220.04 g/mol
Exact Mass218.97
IUPAC Name[5-fluoro-2-(methylamino)phenyl] hypobromite
SMILESCNc1ccc(F)cc1OBr
InChIInChI=1S/C7H7BrFNO/c1-10-6-3-2-5(9)4-7(6)11-8/h2-4,10H,1H3
InChIKeyLBCMRJHVONNMTM-UHFFFAOYSA-N
XLogP2.56
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.04
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

o-(Methylamino)phenol
CID 69138
n-(2-Hydroxyphenyl)formamide
CID 261527
2-methoxy-N-(2,2,2-trifluoroethyl)aniline
CID 9118382
2-Methoxy-N-methylaniline
CID 2759579
o-(Ethylamino)phenol
CID 69196
6-(Trimethyl-lambda~5~-azanylidene)cyclohexa-2,4-dien-1-one--hydrogen bromide (1/1)
CID 47056
N-methyl-2-(trifluoromethoxy)aniline
CID 2775548
2-(Methylamino)phenol hydrochloride
CID 20571417
2-methoxy-N-methylaniline hydrochloride
CID 45156409
Phenol, 2-[[2,2,2-trifluoro-1-(trifluoromethyl)ethyl]amino]-
CID 13076683
2-(Dimethylamino)-5-fluorophenol
CID 72222456
Butylaminophenole
CID 12399105

Frequently Asked Questions

What is the IUPAC name of [5-fluoro-2-(methylamino)phenyl] hypobromite?
The IUPAC name of [5-fluoro-2-(methylamino)phenyl] hypobromite (CID 155307658) is [5-fluoro-2-(methylamino)phenyl] hypobromite.
What is the SMILES notation for [5-fluoro-2-(methylamino)phenyl] hypobromite?
The canonical SMILES for [5-fluoro-2-(methylamino)phenyl] hypobromite is CNc1ccc(F)cc1OBr.
What is the InChIKey of [5-fluoro-2-(methylamino)phenyl] hypobromite?
The InChIKey is LBCMRJHVONNMTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7BrFNO/c1-10-6-3-2-5(9)4-7(6)11-8/h2-4,10H,1H3.
What are the key properties of [5-fluoro-2-(methylamino)phenyl] hypobromite?
[5-fluoro-2-(methylamino)phenyl] hypobromite has a molecular weight of 220.04 g/mol, XLogP of 2.56, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [5-fluoro-2-(methylamino)phenyl] hypobromite is sourced from PubChem (CID 155307658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).