1-bromo-4-[[1-(bromomethyl)cyclopropyl]methoxy]-2-fluorobenzene

C11H11Br2FO — CID 65203699

IUPAC1-bromo-4-[[1-(bromomethyl)cyclopropyl]methoxy]-2-fluorobenzene
SMILESFc1cc(OCC2(CBr)CC2)ccc1Br
InChIInChI=1S/C11H11Br2FO/c12-6-11(3-4-11)7-15-8-1-2-9(13)10(14)5-8/h1-2,5H,3-4,6-7H2
InChIKeyUAFSKRVZACQBJQ-UHFFFAOYSA-N
MW338.01 g/mol
LogP4.14
Rot. Bonds4

About 1-bromo-4-[[1-(bromomethyl)cyclopropyl]methoxy]-2-fluorobenzene

1-bromo-4-[[1-(bromomethyl)cyclopropyl]methoxy]-2-fluorobenzene (PubChem CID 65203699) has the molecular formula C11H11Br2FO and a molecular weight of 338.01 g/mol. Its IUPAC name is 1-bromo-4-[[1-(bromomethyl)cyclopropyl]methoxy]-2-fluorobenzene.

Molecular Properties

Compound Name1-bromo-4-[[1-(bromomethyl)cyclopropyl]methoxy]-2-fluorobenzene
PubChem CID65203699
Molecular FormulaC11H11Br2FO
Molecular Weight338.01 g/mol
Exact Mass335.92
IUPAC Name1-bromo-4-[[1-(bromomethyl)cyclopropyl]methoxy]-2-fluorobenzene
SMILESFc1cc(OCC2(CBr)CC2)ccc1Br
InChIInChI=1S/C11H11Br2FO/c12-6-11(3-4-11)7-15-8-1-2-9(13)10(14)5-8/h1-2,5H,3-4,6-7H2
InChIKeyUAFSKRVZACQBJQ-UHFFFAOYSA-N
XLogP4.14
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.01
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-[[1-(bromomethyl)cyclopropyl]methoxy]-1-chloro-2-fluorobenzene
CID 82716872
[1-[(3-bromo-4-fluorophenoxy)methyl]cyclopropyl]methanethiol
CID 83236943
1-[[1-(bromomethyl)cyclopropyl]methoxy]-4-ethoxybenzene
CID 65008315
1-[[1-(bromomethyl)cyclopropyl]methoxy]-3-iodobenzene
CID 65008691
1-[[1-(bromomethyl)cyclopropyl]methoxy]-4-phenoxybenzene
CID 65008158
1-[[1-(bromomethyl)cyclopropyl]methoxy]-2-fluorobenzene
CID 65008684
1-bromo-3-[[1-(bromomethyl)cyclobutyl]methoxy]benzene
CID 65007470
1,3-dibromo-2-[[1-(bromomethyl)cyclopropyl]methoxy]benzene
CID 65008634
1-bromo-4-(2,2-difluoroethoxy)-2-fluorobenzene
CID 65203003
2,4-dibromo-1-[[1-(bromomethyl)cyclopropyl]methoxy]benzene
CID 65013825
4-[[1-(bromomethyl)cyclohexyl]methoxy]-1,2-dichlorobenzene
CID 65001796
[1-[(4-chloro-3-fluorophenoxy)methyl]cyclopropyl]methanethiol
CID 82719141

Frequently Asked Questions

What is the IUPAC name of 1-bromo-4-[[1-(bromomethyl)cyclopropyl]methoxy]-2-fluorobenzene?
The IUPAC name of 1-bromo-4-[[1-(bromomethyl)cyclopropyl]methoxy]-2-fluorobenzene (CID 65203699) is 1-bromo-4-[[1-(bromomethyl)cyclopropyl]methoxy]-2-fluorobenzene.
What is the SMILES notation for 1-bromo-4-[[1-(bromomethyl)cyclopropyl]methoxy]-2-fluorobenzene?
The canonical SMILES for 1-bromo-4-[[1-(bromomethyl)cyclopropyl]methoxy]-2-fluorobenzene is Fc1cc(OCC2(CBr)CC2)ccc1Br.
What is the InChIKey of 1-bromo-4-[[1-(bromomethyl)cyclopropyl]methoxy]-2-fluorobenzene?
The InChIKey is UAFSKRVZACQBJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11Br2FO/c12-6-11(3-4-11)7-15-8-1-2-9(13)10(14)5-8/h1-2,5H,3-4,6-7H2.
What are the key properties of 1-bromo-4-[[1-(bromomethyl)cyclopropyl]methoxy]-2-fluorobenzene?
1-bromo-4-[[1-(bromomethyl)cyclopropyl]methoxy]-2-fluorobenzene has a molecular weight of 338.01 g/mol, XLogP of 4.14, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-4-[[1-(bromomethyl)cyclopropyl]methoxy]-2-fluorobenzene is sourced from PubChem (CID 65203699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).