[3-bromo-6-(bromomethyl)-2-fluorophenyl] carbamate

C8H6Br2FNO2 — CID 151805451

IUPAC[3-bromo-6-(bromomethyl)-2-fluorophenyl] carbamate
SMILESNC(=O)Oc1c(CBr)ccc(Br)c1F
InChIInChI=1S/C8H6Br2FNO2/c9-3-4-1-2-5(10)6(11)7(4)14-8(12)13/h1-2H,3H2,(H2,12,13)
InChIKeyRZMWMZVPJFSOTM-UHFFFAOYSA-N
MW326.95 g/mol
LogP2.94
Rot. Bonds2

About [3-bromo-6-(bromomethyl)-2-fluorophenyl] carbamate

[3-bromo-6-(bromomethyl)-2-fluorophenyl] carbamate (PubChem CID 151805451) has the molecular formula C8H6Br2FNO2 and a molecular weight of 326.95 g/mol. Its IUPAC name is [3-bromo-6-(bromomethyl)-2-fluorophenyl] carbamate.

Molecular Properties

Compound Name[3-bromo-6-(bromomethyl)-2-fluorophenyl] carbamate
PubChem CID151805451
Molecular FormulaC8H6Br2FNO2
Molecular Weight326.95 g/mol
Exact Mass324.87
IUPAC Name[3-bromo-6-(bromomethyl)-2-fluorophenyl] carbamate
SMILESNC(=O)Oc1c(CBr)ccc(Br)c1F
InChIInChI=1S/C8H6Br2FNO2/c9-3-4-1-2-5(10)6(11)7(4)14-8(12)13/h1-2H,3H2,(H2,12,13)
InChIKeyRZMWMZVPJFSOTM-UHFFFAOYSA-N
XLogP2.94
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.95
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-bromo-6-(bromomethyl)-2-fluorophenol
CID 130820580
[2-(bromomethyl)-4-fluorophenyl] carbamate
CID 152652489
[3-bromo-2-fluoro-6-(2-methylpyrazol-3-yl)phenyl] carbamate
CID 175558426
3-(4-bromo-3-fluoro-2-methoxyphenyl)-2-methylpropanoic acid
CID 117470123
(5-bromo-6-fluoro-2-pyridinyl) carbamate
CID 146241183
2-(3-bromo-2,6-difluorophenyl)acetamide
CID 131036088
[2-(2-bromoethyl)-5-fluorophenyl] carbamate
CID 174456451
[3-(2-bromoethyl)-2-fluorophenyl] carbamate
CID 174593765
3,6-dibromo-2-fluorobenzamide
CID 121228046
(6-amino-3-bromo-2-fluorophenyl) prop-2-enoate
CID 175393797
(2-bromo-5-fluorophenyl)methyl carbamate
CID 150503608
2-bromo-3-(4-bromonaphthalen-1-yl)propanamide
CID 104513098

Frequently Asked Questions

What is the IUPAC name of [3-bromo-6-(bromomethyl)-2-fluorophenyl] carbamate?
The IUPAC name of [3-bromo-6-(bromomethyl)-2-fluorophenyl] carbamate (CID 151805451) is [3-bromo-6-(bromomethyl)-2-fluorophenyl] carbamate.
What is the SMILES notation for [3-bromo-6-(bromomethyl)-2-fluorophenyl] carbamate?
The canonical SMILES for [3-bromo-6-(bromomethyl)-2-fluorophenyl] carbamate is NC(=O)Oc1c(CBr)ccc(Br)c1F.
What is the InChIKey of [3-bromo-6-(bromomethyl)-2-fluorophenyl] carbamate?
The InChIKey is RZMWMZVPJFSOTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6Br2FNO2/c9-3-4-1-2-5(10)6(11)7(4)14-8(12)13/h1-2H,3H2,(H2,12,13).
What are the key properties of [3-bromo-6-(bromomethyl)-2-fluorophenyl] carbamate?
[3-bromo-6-(bromomethyl)-2-fluorophenyl] carbamate has a molecular weight of 326.95 g/mol, XLogP of 2.94, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-bromo-6-(bromomethyl)-2-fluorophenyl] carbamate is sourced from PubChem (CID 151805451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).