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

C13H15Br2FO — CID 114672157

IUPAC4-bromo-2-[[1-(bromomethyl)cyclopentyl]methoxy]-1-fluorobenzene
SMILESFc1ccc(Br)cc1OCC1(CBr)CCCC1
InChIInChI=1S/C13H15Br2FO/c14-8-13(5-1-2-6-13)9-17-12-7-10(15)3-4-11(12)16/h3-4,7H,1-2,5-6,8-9H2
InChIKeyBGPMCLLRZQIIBL-UHFFFAOYSA-N
MW366.07 g/mol
LogP4.92
Rot. Bonds4

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

4-bromo-2-[[1-(bromomethyl)cyclopentyl]methoxy]-1-fluorobenzene (PubChem CID 114672157) has the molecular formula C13H15Br2FO and a molecular weight of 366.07 g/mol. Its IUPAC name is 4-bromo-2-[[1-(bromomethyl)cyclopentyl]methoxy]-1-fluorobenzene.

Molecular Properties

Compound Name4-bromo-2-[[1-(bromomethyl)cyclopentyl]methoxy]-1-fluorobenzene
PubChem CID114672157
Molecular FormulaC13H15Br2FO
Molecular Weight366.07 g/mol
Exact Mass363.95
IUPAC Name4-bromo-2-[[1-(bromomethyl)cyclopentyl]methoxy]-1-fluorobenzene
SMILESFc1ccc(Br)cc1OCC1(CBr)CCCC1
InChIInChI=1S/C13H15Br2FO/c14-8-13(5-1-2-6-13)9-17-12-7-10(15)3-4-11(12)16/h3-4,7H,1-2,5-6,8-9H2
InChIKeyBGPMCLLRZQIIBL-UHFFFAOYSA-N
XLogP4.92
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.07
LogP ≤ 54.92
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

2-[[1-(bromomethyl)cyclobutyl]methoxy]-1,4-difluorobenzene
CID 65008006
1-(bromomethyl)-1-[(2-fluoro-5-methylphenoxy)methyl]cycloheptane
CID 65010017
1-[(5-bromo-2-chlorophenoxy)methyl]-1-(bromomethyl)cycloheptane
CID 65010650
1-[[1-(bromomethyl)cyclohexyl]methoxy]-2,4-difluorobenzene
CID 65002199
4-bromo-2-[[1-(bromomethyl)cyclopropyl]methoxy]-1-chlorobenzene
CID 65013710
2,4-dibromo-1-[[1-(bromomethyl)cyclopropyl]methoxy]benzene
CID 65013825
1-[[1-(bromomethyl)cyclopropyl]methoxy]-2-fluorobenzene
CID 65008684
2-[1-[(5-bromo-2-fluorophenoxy)methyl]cyclopropyl]-N'-hydroxyethanimidamide
CID 114673616
1-bromo-3-[[1-(bromomethyl)cyclobutyl]methoxy]benzene
CID 65007470
1-[[1-(bromomethyl)cyclohexyl]methoxy]-2-fluoro-3-methylbenzene
CID 107657637
3-[[1-(bromomethyl)cyclobutyl]methoxy]-1,2,4,5-tetrafluorobenzene
CID 103289387
1-[[1-(bromomethyl)cyclohexyl]methoxy]-2-iodobenzene
CID 65002254

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-[[1-(bromomethyl)cyclopentyl]methoxy]-1-fluorobenzene?
The IUPAC name of 4-bromo-2-[[1-(bromomethyl)cyclopentyl]methoxy]-1-fluorobenzene (CID 114672157) is 4-bromo-2-[[1-(bromomethyl)cyclopentyl]methoxy]-1-fluorobenzene.
What is the SMILES notation for 4-bromo-2-[[1-(bromomethyl)cyclopentyl]methoxy]-1-fluorobenzene?
The canonical SMILES for 4-bromo-2-[[1-(bromomethyl)cyclopentyl]methoxy]-1-fluorobenzene is Fc1ccc(Br)cc1OCC1(CBr)CCCC1.
What is the InChIKey of 4-bromo-2-[[1-(bromomethyl)cyclopentyl]methoxy]-1-fluorobenzene?
The InChIKey is BGPMCLLRZQIIBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15Br2FO/c14-8-13(5-1-2-6-13)9-17-12-7-10(15)3-4-11(12)16/h3-4,7H,1-2,5-6,8-9H2.
What are the key properties of 4-bromo-2-[[1-(bromomethyl)cyclopentyl]methoxy]-1-fluorobenzene?
4-bromo-2-[[1-(bromomethyl)cyclopentyl]methoxy]-1-fluorobenzene has a molecular weight of 366.07 g/mol, XLogP of 4.92, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-[[1-(bromomethyl)cyclopentyl]methoxy]-1-fluorobenzene is sourced from PubChem (CID 114672157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).