methyl N-(2-bromo-3,4-difluorophenyl)carbamate

C8H6BrF2NO2 — CID 71304380

IUPACmethyl N-(2-bromo-3,4-difluorophenyl)carbamate
SMILESCOC(=O)Nc1ccc(F)c(F)c1Br
InChIInChI=1S/C8H6BrF2NO2/c1-14-8(13)12-5-3-2-4(10)7(11)6(5)9/h2-3H,1H3,(H,12,13)
InChIKeyYWPPJPMPLYGYNU-UHFFFAOYSA-N
MW266.04 g/mol
LogP2.91
Rot. Bonds1

About methyl N-(2-bromo-3,4-difluorophenyl)carbamate

methyl N-(2-bromo-3,4-difluorophenyl)carbamate (PubChem CID 71304380) has the molecular formula C8H6BrF2NO2 and a molecular weight of 266.04 g/mol. Its IUPAC name is methyl N-(2-bromo-3,4-difluorophenyl)carbamate.

Molecular Properties

Compound Namemethyl N-(2-bromo-3,4-difluorophenyl)carbamate
PubChem CID71304380
Molecular FormulaC8H6BrF2NO2
Molecular Weight266.04 g/mol
Exact Mass264.95
IUPAC Namemethyl N-(2-bromo-3,4-difluorophenyl)carbamate
SMILESCOC(=O)Nc1ccc(F)c(F)c1Br
InChIInChI=1S/C8H6BrF2NO2/c1-14-8(13)12-5-3-2-4(10)7(11)6(5)9/h2-3H,1H3,(H,12,13)
InChIKeyYWPPJPMPLYGYNU-UHFFFAOYSA-N
XLogP2.91
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.04
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

methyl N-[4-(2,3,4-trifluoroanilino)phenyl]carbamate
CID 112990169
methyl N-(5-chloro-2-fluorophenyl)carbamate
CID 110778567
methyl N-[3,4-difluoro-2-(2-trimethylsilylethynyl)phenyl]carbamate
CID 131872723
methyl N-(4-chloro-2-fluoro-3-methylphenyl)carbamate
CID 175755626
methyl N-(3-bromo-4-fluorophenyl)carbamate
CID 115661421
tert-butyl N-(4-bromo-2-fluorophenyl)carbamate
CID 22736228
(2-bromo-3,4-difluorophenyl) N-methylcarbamate
CID 91799161
methyl N-(4-chloro-2-fluoro-3-hydroxyphenyl)carbamate
CID 19374487
methyl N-(4-chloro-2-methylphenyl)carbamate
CID 3262623
methyl N-(4-chloro-2-iodophenyl)carbamate
CID 103767047
methyl N-(2-chloro-4-fluorophenyl)carbamate
CID 115579852
ethyl (2Z)-2-[(2-bromo-3,4-difluorophenyl)hydrazinylidene]propanoate
CID 140687018

Frequently Asked Questions

What is the IUPAC name of methyl N-(2-bromo-3,4-difluorophenyl)carbamate?
The IUPAC name of methyl N-(2-bromo-3,4-difluorophenyl)carbamate (CID 71304380) is methyl N-(2-bromo-3,4-difluorophenyl)carbamate.
What is the SMILES notation for methyl N-(2-bromo-3,4-difluorophenyl)carbamate?
The canonical SMILES for methyl N-(2-bromo-3,4-difluorophenyl)carbamate is COC(=O)Nc1ccc(F)c(F)c1Br.
What is the InChIKey of methyl N-(2-bromo-3,4-difluorophenyl)carbamate?
The InChIKey is YWPPJPMPLYGYNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6BrF2NO2/c1-14-8(13)12-5-3-2-4(10)7(11)6(5)9/h2-3H,1H3,(H,12,13).
What are the key properties of methyl N-(2-bromo-3,4-difluorophenyl)carbamate?
methyl N-(2-bromo-3,4-difluorophenyl)carbamate has a molecular weight of 266.04 g/mol, XLogP of 2.91, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-(2-bromo-3,4-difluorophenyl)carbamate is sourced from PubChem (CID 71304380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).