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

C11H11BrClFO — CID 82716872

IUPAC4-[[1-(bromomethyl)cyclopropyl]methoxy]-1-chloro-2-fluorobenzene
SMILESFc1cc(OCC2(CBr)CC2)ccc1Cl
InChIInChI=1S/C11H11BrClFO/c12-6-11(3-4-11)7-15-8-1-2-9(13)10(14)5-8/h1-2,5H,3-4,6-7H2
InChIKeyNLIRDLHIWQLSDM-UHFFFAOYSA-N
MW293.56 g/mol
LogP4.03
Rot. Bonds4

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

4-[[1-(bromomethyl)cyclopropyl]methoxy]-1-chloro-2-fluorobenzene (PubChem CID 82716872) has the molecular formula C11H11BrClFO and a molecular weight of 293.56 g/mol. Its IUPAC name is 4-[[1-(bromomethyl)cyclopropyl]methoxy]-1-chloro-2-fluorobenzene.

Molecular Properties

Compound Name4-[[1-(bromomethyl)cyclopropyl]methoxy]-1-chloro-2-fluorobenzene
PubChem CID82716872
Molecular FormulaC11H11BrClFO
Molecular Weight293.56 g/mol
Exact Mass291.97
IUPAC Name4-[[1-(bromomethyl)cyclopropyl]methoxy]-1-chloro-2-fluorobenzene
SMILESFc1cc(OCC2(CBr)CC2)ccc1Cl
InChIInChI=1S/C11H11BrClFO/c12-6-11(3-4-11)7-15-8-1-2-9(13)10(14)5-8/h1-2,5H,3-4,6-7H2
InChIKeyNLIRDLHIWQLSDM-UHFFFAOYSA-N
XLogP4.03
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.56
LogP ≤ 54.03
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

[1-[(4-chloro-3-fluorophenoxy)methyl]cyclopropyl]methanethiol
CID 82719141
1-bromo-4-[[1-(bromomethyl)cyclopropyl]methoxy]-2-fluorobenzene
CID 65203699
4-[[1-(bromomethyl)cyclohexyl]methoxy]-1,2-dichlorobenzene
CID 65001796
[1-[(4-chloro-3-fluorophenoxy)methyl]cyclohexyl]methanethiol
CID 82719369
4-[[1-(bromomethyl)cyclobutyl]methoxy]-1-chloro-2-ethylbenzene
CID 65007584
2-[[1-(bromomethyl)cyclopropyl]methoxy]-1,4-dichlorobenzene
CID 65008364
[1-[(4-chloro-3-fluorophenoxy)methyl]cyclopentyl]methanesulfonamide
CID 82727324
1-[[1-(bromomethyl)cyclopropyl]methoxy]-4-ethoxybenzene
CID 65008315
4-bromo-2-[[1-(bromomethyl)cyclopropyl]methoxy]-1-chlorobenzene
CID 65013710
1-[[1-(bromomethyl)cyclobutyl]methoxy]-3-chlorobenzene
CID 65007522
1-[[1-(bromomethyl)cyclopropyl]methoxy]-3-iodobenzene
CID 65008691
1-[[1-(bromomethyl)cyclopentyl]methoxy]-3,5-dichlorobenzene
CID 65001708

Frequently Asked Questions

What is the IUPAC name of 4-[[1-(bromomethyl)cyclopropyl]methoxy]-1-chloro-2-fluorobenzene?
The IUPAC name of 4-[[1-(bromomethyl)cyclopropyl]methoxy]-1-chloro-2-fluorobenzene (CID 82716872) is 4-[[1-(bromomethyl)cyclopropyl]methoxy]-1-chloro-2-fluorobenzene.
What is the SMILES notation for 4-[[1-(bromomethyl)cyclopropyl]methoxy]-1-chloro-2-fluorobenzene?
The canonical SMILES for 4-[[1-(bromomethyl)cyclopropyl]methoxy]-1-chloro-2-fluorobenzene is Fc1cc(OCC2(CBr)CC2)ccc1Cl.
What is the InChIKey of 4-[[1-(bromomethyl)cyclopropyl]methoxy]-1-chloro-2-fluorobenzene?
The InChIKey is NLIRDLHIWQLSDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrClFO/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 4-[[1-(bromomethyl)cyclopropyl]methoxy]-1-chloro-2-fluorobenzene?
4-[[1-(bromomethyl)cyclopropyl]methoxy]-1-chloro-2-fluorobenzene has a molecular weight of 293.56 g/mol, XLogP of 4.03, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-(bromomethyl)cyclopropyl]methoxy]-1-chloro-2-fluorobenzene is sourced from PubChem (CID 82716872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).