(2-bromo-3,4-difluorophenyl) N-methylcarbamate

C8H6BrF2NO2 — CID 91799161

IUPAC(2-bromo-3,4-difluorophenyl) N-methylcarbamate
SMILESCNC(=O)Oc1ccc(F)c(F)c1Br
InChIInChI=1S/C8H6BrF2NO2/c1-12-8(13)14-5-3-2-4(10)7(11)6(5)9/h2-3H,1H3,(H,12,13)
InChIKeyFOVNEXVIKGOLJR-UHFFFAOYSA-N
MW266.04 g/mol
LogP2.45
Rot. Bonds1

About (2-bromo-3,4-difluorophenyl) N-methylcarbamate

(2-bromo-3,4-difluorophenyl) N-methylcarbamate (PubChem CID 91799161) has the molecular formula C8H6BrF2NO2 and a molecular weight of 266.04 g/mol. Its IUPAC name is (2-bromo-3,4-difluorophenyl) N-methylcarbamate.

Molecular Properties

Compound Name(2-bromo-3,4-difluorophenyl) N-methylcarbamate
PubChem CID91799161
Molecular FormulaC8H6BrF2NO2
Molecular Weight266.04 g/mol
Exact Mass264.95
IUPAC Name(2-bromo-3,4-difluorophenyl) N-methylcarbamate
SMILESCNC(=O)Oc1ccc(F)c(F)c1Br
InChIInChI=1S/C8H6BrF2NO2/c1-12-8(13)14-5-3-2-4(10)7(11)6(5)9/h2-3H,1H3,(H,12,13)
InChIKeyFOVNEXVIKGOLJR-UHFFFAOYSA-N
XLogP2.45
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 ≤ 52.45
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

(3,4-difluoro-2-iodophenyl) N-methylcarbamate
CID 91799162
(2-bromo-3,4-dimethylphenyl) N-methylcarbamate
CID 154109694
(2,3,5,6-tetrafluorophenyl) N-methylcarbamate
CID 155696614
methyl N-(2-bromo-3,4-difluorophenyl)carbamate
CID 71304380
(4-fluoro-1H-indol-5-yl) N-methylcarbamate
CID 175335995
(2,3,4-trifluorophenyl) 2-hydroxypropanoate
CID 117051257
(2-amino-4-chloro-5-fluorophenyl) N-methylcarbamate
CID 164648951
(5-bromo-3-chloro-6-fluoro-9H-pyrido[2,3-b]indol-8-yl) N-methylcarbamate
CID 135346393
(2,3,4-trifluorophenyl) 3-oxobutanoate
CID 150304039
2-bromo-3,4-difluorobenzoic acid
CID 22621204
(3-bromo-2,4-difluorophenyl) pentanoate
CID 175420455
[3-fluoro-2-[(2,4,5-trimethylphenoxy)methyl]phenyl] N-methylcarbamate
CID 122646293

Frequently Asked Questions

What is the IUPAC name of (2-bromo-3,4-difluorophenyl) N-methylcarbamate?
The IUPAC name of (2-bromo-3,4-difluorophenyl) N-methylcarbamate (CID 91799161) is (2-bromo-3,4-difluorophenyl) N-methylcarbamate.
What is the SMILES notation for (2-bromo-3,4-difluorophenyl) N-methylcarbamate?
The canonical SMILES for (2-bromo-3,4-difluorophenyl) N-methylcarbamate is CNC(=O)Oc1ccc(F)c(F)c1Br.
What is the InChIKey of (2-bromo-3,4-difluorophenyl) N-methylcarbamate?
The InChIKey is FOVNEXVIKGOLJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6BrF2NO2/c1-12-8(13)14-5-3-2-4(10)7(11)6(5)9/h2-3H,1H3,(H,12,13).
What are the key properties of (2-bromo-3,4-difluorophenyl) N-methylcarbamate?
(2-bromo-3,4-difluorophenyl) N-methylcarbamate has a molecular weight of 266.04 g/mol, XLogP of 2.45, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromo-3,4-difluorophenyl) N-methylcarbamate is sourced from PubChem (CID 91799161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).