[2-(bromomethyl)-4-fluorophenyl] carbamate

C8H7BrFNO2 — CID 152652489

IUPAC[2-(bromomethyl)-4-fluorophenyl] carbamate
SMILESNC(=O)Oc1ccc(F)cc1CBr
InChIInChI=1S/C8H7BrFNO2/c9-4-5-3-6(10)1-2-7(5)13-8(11)12/h1-3H,4H2,(H2,11,12)
InChIKeyZHVPHGNMZOHTJJ-UHFFFAOYSA-N
MW248.05 g/mol
LogP2.18
Rot. Bonds2

About [2-(bromomethyl)-4-fluorophenyl] carbamate

[2-(bromomethyl)-4-fluorophenyl] carbamate (PubChem CID 152652489) has the molecular formula C8H7BrFNO2 and a molecular weight of 248.05 g/mol. Its IUPAC name is [2-(bromomethyl)-4-fluorophenyl] carbamate.

Molecular Properties

Compound Name[2-(bromomethyl)-4-fluorophenyl] carbamate
PubChem CID152652489
Molecular FormulaC8H7BrFNO2
Molecular Weight248.05 g/mol
Exact Mass246.96
IUPAC Name[2-(bromomethyl)-4-fluorophenyl] carbamate
SMILESNC(=O)Oc1ccc(F)cc1CBr
InChIInChI=1S/C8H7BrFNO2/c9-4-5-3-6(10)1-2-7(5)13-8(11)12/h1-3H,4H2,(H2,11,12)
InChIKeyZHVPHGNMZOHTJJ-UHFFFAOYSA-N
XLogP2.18
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.05
LogP ≤ 52.18
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

(2-benzyl-4-fluorophenyl) carbamate
CID 150789163
[2-(2-bromoethyl)-5-fluorophenyl] carbamate
CID 174456451
[2-(aminomethyl)-4-fluorophenyl] acetate
CID 151844429
(2-bromo-5-fluorophenyl)methyl carbamate
CID 150503608
2-(bromomethyl)-1-(2,2-difluoroethoxy)-4-fluorobenzene
CID 107699186
2-(bromomethyl)-4-fluoro-1-[(4-fluorophenyl)methoxy]benzene
CID 89437019
(1-bromo-6-fluoronaphthalen-2-yl) carbamate
CID 172723939
[4-fluoro-2-(2-methylpropanoyloxy)phenyl] 2-methylpropanoate
CID 90032210
[3-bromo-6-(bromomethyl)-2-fluorophenyl] carbamate
CID 151805451
1-[2-(bromomethyl)-4-fluorophenoxy]-3,5-dichlorobenzene
CID 107087809
1-[2-(bromomethyl)-4-fluorophenoxy]-4-chloro-2-fluorobenzene
CID 114267907
[3-(2-bromoethyl)-2-fluorophenyl] carbamate
CID 174593765

Frequently Asked Questions

What is the IUPAC name of [2-(bromomethyl)-4-fluorophenyl] carbamate?
The IUPAC name of [2-(bromomethyl)-4-fluorophenyl] carbamate (CID 152652489) is [2-(bromomethyl)-4-fluorophenyl] carbamate.
What is the SMILES notation for [2-(bromomethyl)-4-fluorophenyl] carbamate?
The canonical SMILES for [2-(bromomethyl)-4-fluorophenyl] carbamate is NC(=O)Oc1ccc(F)cc1CBr.
What is the InChIKey of [2-(bromomethyl)-4-fluorophenyl] carbamate?
The InChIKey is ZHVPHGNMZOHTJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BrFNO2/c9-4-5-3-6(10)1-2-7(5)13-8(11)12/h1-3H,4H2,(H2,11,12).
What are the key properties of [2-(bromomethyl)-4-fluorophenyl] carbamate?
[2-(bromomethyl)-4-fluorophenyl] carbamate has a molecular weight of 248.05 g/mol, XLogP of 2.18, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(bromomethyl)-4-fluorophenyl] carbamate is sourced from PubChem (CID 152652489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).