2-(3-bromopropyl)-4-chloro-1-(fluoromethoxy)benzene

C10H11BrClFO — CID 118807576

IUPAC2-(3-bromopropyl)-4-chloro-1-(fluoromethoxy)benzene
SMILESFCOc1ccc(Cl)cc1CCCBr
InChIInChI=1S/C10H11BrClFO/c11-5-1-2-8-6-9(12)3-4-10(8)14-7-13/h3-4,6H,1-2,5,7H2
InChIKeyLZFISEHAZYMTIB-UHFFFAOYSA-N
MW281.55 g/mol
LogP3.97
Rot. Bonds5

About 2-(3-bromopropyl)-4-chloro-1-(fluoromethoxy)benzene

2-(3-bromopropyl)-4-chloro-1-(fluoromethoxy)benzene (PubChem CID 118807576) has the molecular formula C10H11BrClFO and a molecular weight of 281.55 g/mol. Its IUPAC name is 2-(3-bromopropyl)-4-chloro-1-(fluoromethoxy)benzene.

Molecular Properties

Compound Name2-(3-bromopropyl)-4-chloro-1-(fluoromethoxy)benzene
PubChem CID118807576
Molecular FormulaC10H11BrClFO
Molecular Weight281.55 g/mol
Exact Mass279.97
IUPAC Name2-(3-bromopropyl)-4-chloro-1-(fluoromethoxy)benzene
SMILESFCOc1ccc(Cl)cc1CCCBr
InChIInChI=1S/C10H11BrClFO/c11-5-1-2-8-6-9(12)3-4-10(8)14-7-13/h3-4,6H,1-2,5,7H2
InChIKeyLZFISEHAZYMTIB-UHFFFAOYSA-N
XLogP3.97
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.55
LogP ≤ 53.97
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-(3-bromopropyl)-4-chloro-2-(chloromethyl)benzene
CID 118830925
2-(2-bromoethyl)-4-chloro-1-(2,2,2-trifluoroethoxy)benzene
CID 135154916
4-chloro-2-fluoro-1-(fluoromethoxy)benzene
CID 67335232
1-bromo-3-[4-chloro-2-(fluoromethoxy)phenyl]propan-2-one
CID 134616747
2-(3-bromopropyl)-5-chlorophenol
CID 118836469
2-(3-bromopropyl)-1-[2-(3-bromopropyl)-4-fluorophenoxy]-4-fluorobenzene
CID 141129739
1-[[2-(bromomethyl)-4-chlorophenoxy]methyl]-4-chloro-2-fluorobenzene
CID 89437045
1-[[2-(bromomethyl)-4-chlorophenoxy]methyl]-2,4,5-trifluorobenzene
CID 89437055
2-(bromomethyl)-4-chloro-1-[(2,5-dichlorophenyl)methoxy]benzene
CID 65316926
2-(bromomethyl)-4-chloro-1-propoxybenzene
CID 43142008
2-(bromomethyl)-4-chloro-1-(2-methylpropoxy)benzene
CID 43142000
2-[2-[(5-bromo-2-fluorophenyl)methoxy]-5-chlorophenyl]ethanamine
CID 60904821

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromopropyl)-4-chloro-1-(fluoromethoxy)benzene?
The IUPAC name of 2-(3-bromopropyl)-4-chloro-1-(fluoromethoxy)benzene (CID 118807576) is 2-(3-bromopropyl)-4-chloro-1-(fluoromethoxy)benzene.
What is the SMILES notation for 2-(3-bromopropyl)-4-chloro-1-(fluoromethoxy)benzene?
The canonical SMILES for 2-(3-bromopropyl)-4-chloro-1-(fluoromethoxy)benzene is FCOc1ccc(Cl)cc1CCCBr.
What is the InChIKey of 2-(3-bromopropyl)-4-chloro-1-(fluoromethoxy)benzene?
The InChIKey is LZFISEHAZYMTIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrClFO/c11-5-1-2-8-6-9(12)3-4-10(8)14-7-13/h3-4,6H,1-2,5,7H2.
What are the key properties of 2-(3-bromopropyl)-4-chloro-1-(fluoromethoxy)benzene?
2-(3-bromopropyl)-4-chloro-1-(fluoromethoxy)benzene has a molecular weight of 281.55 g/mol, XLogP of 3.97, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromopropyl)-4-chloro-1-(fluoromethoxy)benzene is sourced from PubChem (CID 118807576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).