2-bromo-N-fluoro-4-methoxyaniline

C7H7BrFNO — CID 174521230

IUPAC2-bromo-N-fluoro-4-methoxyaniline
SMILESCOc1ccc(NF)c(Br)c1
InChIInChI=1S/C7H7BrFNO/c1-11-5-2-3-7(10-9)6(8)4-5/h2-4,10H,1H3
InChIKeyYNAXPSXALWQEKT-UHFFFAOYSA-N
MW220.04 g/mol
LogP2.75
Rot. Bonds2

About 2-bromo-N-fluoro-4-methoxyaniline

2-bromo-N-fluoro-4-methoxyaniline (PubChem CID 174521230) has the molecular formula C7H7BrFNO and a molecular weight of 220.04 g/mol. Its IUPAC name is 2-bromo-N-fluoro-4-methoxyaniline.

Molecular Properties

Compound Name2-bromo-N-fluoro-4-methoxyaniline
PubChem CID174521230
Molecular FormulaC7H7BrFNO
Molecular Weight220.04 g/mol
Exact Mass218.97
IUPAC Name2-bromo-N-fluoro-4-methoxyaniline
SMILESCOc1ccc(NF)c(Br)c1
InChIInChI=1S/C7H7BrFNO/c1-11-5-2-3-7(10-9)6(8)4-5/h2-4,10H,1H3
InChIKeyYNAXPSXALWQEKT-UHFFFAOYSA-N
XLogP2.75
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 ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-bromo-N-ethyl-4-methoxyaniline
CID 130675906
N-(2-bromo-4-methoxyphenyl)ethanesulfonamide
CID 171393230
1-(2-bromo-4-methoxyphenyl)-3-propan-2-ylurea
CID 86768816
3-(2-bromo-4-methoxyphenyl)-1-methyl-1-(2,2,2-trifluoroethyl)urea
CID 91662216
2-fluoro-4-methoxy-N-methylaniline;hydrochloride
CID 175025115
2-bromo-N,N-bis(2-bromo-4-methoxyphenyl)-4-methoxyaniline
CID 13050087
dimethyl (E)-2-(2-bromo-4-methoxyanilino)but-2-enedioate
CID 168568946
2-amino-N-(2-bromo-4-fluorophenyl)-5-methoxybenzamide
CID 60954882
(2R)-2-(2-bromo-4-methoxyanilino)-1,2-bis(4-fluorophenyl)ethanone
CID 154714356
2-bromo-N-cyclopropyl-5-methoxyaniline
CID 103439281
2-bromo-1-(2-chloroethyl)-4-methoxybenzene
CID 130534302
2-bromo-4-methoxyphenol;deuterio(fluoro)methane
CID 158022757

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-fluoro-4-methoxyaniline?
The IUPAC name of 2-bromo-N-fluoro-4-methoxyaniline (CID 174521230) is 2-bromo-N-fluoro-4-methoxyaniline.
What is the SMILES notation for 2-bromo-N-fluoro-4-methoxyaniline?
The canonical SMILES for 2-bromo-N-fluoro-4-methoxyaniline is COc1ccc(NF)c(Br)c1.
What is the InChIKey of 2-bromo-N-fluoro-4-methoxyaniline?
The InChIKey is YNAXPSXALWQEKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7BrFNO/c1-11-5-2-3-7(10-9)6(8)4-5/h2-4,10H,1H3.
What are the key properties of 2-bromo-N-fluoro-4-methoxyaniline?
2-bromo-N-fluoro-4-methoxyaniline has a molecular weight of 220.04 g/mol, XLogP of 2.75, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-fluoro-4-methoxyaniline is sourced from PubChem (CID 174521230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).