[3-(2-bromoethyl)-2-fluorophenyl] carbamate

C9H9BrFNO2 — CID 174593765

IUPAC[3-(2-bromoethyl)-2-fluorophenyl] carbamate
SMILESNC(=O)Oc1cccc(CCBr)c1F
InChIInChI=1S/C9H9BrFNO2/c10-5-4-6-2-1-3-7(8(6)11)14-9(12)13/h1-3H,4-5H2,(H2,12,13)
InChIKeyFVMYJXROZXLEBY-UHFFFAOYSA-N
MW262.08 g/mol
LogP2.22
Rot. Bonds3

About [3-(2-bromoethyl)-2-fluorophenyl] carbamate

[3-(2-bromoethyl)-2-fluorophenyl] carbamate (PubChem CID 174593765) has the molecular formula C9H9BrFNO2 and a molecular weight of 262.08 g/mol. Its IUPAC name is [3-(2-bromoethyl)-2-fluorophenyl] carbamate.

Molecular Properties

Compound Name[3-(2-bromoethyl)-2-fluorophenyl] carbamate
PubChem CID174593765
Molecular FormulaC9H9BrFNO2
Molecular Weight262.08 g/mol
Exact Mass260.98
IUPAC Name[3-(2-bromoethyl)-2-fluorophenyl] carbamate
SMILESNC(=O)Oc1cccc(CCBr)c1F
InChIInChI=1S/C9H9BrFNO2/c10-5-4-6-2-1-3-7(8(6)11)14-9(12)13/h1-3H,4-5H2,(H2,12,13)
InChIKeyFVMYJXROZXLEBY-UHFFFAOYSA-N
XLogP2.22
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.08
LogP ≤ 52.22
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-(2-bromoethyl)-5-fluorophenyl] carbamate
CID 174456451
(2,3-difluorophenyl) carbamate
CID 154511519
3-(2-bromoethyl)-2-fluorobenzoic acid
CID 174686593
1-(3-bromopropyl)-2-fluoro-3-methoxybenzene
CID 82812209
1-(2-bromoethyl)-3-ethyl-2-fluorobenzene
CID 130140887
[2-(bromomethyl)-4-fluorophenyl] carbamate
CID 152652489
[3-[2-(dimethylamino)ethyl]-2-methylphenyl] carbamate
CID 66685340
6-(2-fluoro-3-methoxyphenyl)hexan-3-one
CID 104795064
1-(2-aminophenyl)-2-(2-fluoro-3-methoxyphenyl)ethanone
CID 113453735
(3-carbamoyloxy-2-fluorophenyl)sulfamic acid
CID 174728578
(Z)-2-[2-(2-fluoro-3-methoxyphenyl)ethyl]but-2-enoic acid
CID 174954206
1-bromo-3-(3-ethoxy-2-fluorophenyl)propan-2-one
CID 134616559

Frequently Asked Questions

What is the IUPAC name of [3-(2-bromoethyl)-2-fluorophenyl] carbamate?
The IUPAC name of [3-(2-bromoethyl)-2-fluorophenyl] carbamate (CID 174593765) is [3-(2-bromoethyl)-2-fluorophenyl] carbamate.
What is the SMILES notation for [3-(2-bromoethyl)-2-fluorophenyl] carbamate?
The canonical SMILES for [3-(2-bromoethyl)-2-fluorophenyl] carbamate is NC(=O)Oc1cccc(CCBr)c1F.
What is the InChIKey of [3-(2-bromoethyl)-2-fluorophenyl] carbamate?
The InChIKey is FVMYJXROZXLEBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrFNO2/c10-5-4-6-2-1-3-7(8(6)11)14-9(12)13/h1-3H,4-5H2,(H2,12,13).
What are the key properties of [3-(2-bromoethyl)-2-fluorophenyl] carbamate?
[3-(2-bromoethyl)-2-fluorophenyl] carbamate has a molecular weight of 262.08 g/mol, XLogP of 2.22, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-bromoethyl)-2-fluorophenyl] carbamate is sourced from PubChem (CID 174593765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).