1-bromo-5-[bromo-(1-ethylcyclopentyl)methyl]-2-fluoro-4-methoxybenzene

C15H19Br2FO — CID 103396453

IUPAC1-bromo-5-[bromo-(1-ethylcyclopentyl)methyl]-2-fluoro-4-methoxybenzene
SMILESCCC1(C(Br)c2cc(Br)c(F)cc2OC)CCCC1
InChIInChI=1S/C15H19Br2FO/c1-3-15(6-4-5-7-15)14(17)10-8-11(16)12(18)9-13(10)19-2/h8-9,14H,3-7H2,1-2H3
InChIKeyAXLGQLBNHMMUCF-UHFFFAOYSA-N
MW394.12 g/mol
LogP6.00
Rot. Bonds4

About 1-bromo-5-[bromo-(1-ethylcyclopentyl)methyl]-2-fluoro-4-methoxybenzene

1-bromo-5-[bromo-(1-ethylcyclopentyl)methyl]-2-fluoro-4-methoxybenzene (PubChem CID 103396453) has the molecular formula C15H19Br2FO and a molecular weight of 394.12 g/mol. Its IUPAC name is 1-bromo-5-[bromo-(1-ethylcyclopentyl)methyl]-2-fluoro-4-methoxybenzene.

Molecular Properties

Compound Name1-bromo-5-[bromo-(1-ethylcyclopentyl)methyl]-2-fluoro-4-methoxybenzene
PubChem CID103396453
Molecular FormulaC15H19Br2FO
Molecular Weight394.12 g/mol
Exact Mass391.98
IUPAC Name1-bromo-5-[bromo-(1-ethylcyclopentyl)methyl]-2-fluoro-4-methoxybenzene
SMILESCCC1(C(Br)c2cc(Br)c(F)cc2OC)CCCC1
InChIInChI=1S/C15H19Br2FO/c1-3-15(6-4-5-7-15)14(17)10-8-11(16)12(18)9-13(10)19-2/h8-9,14H,3-7H2,1-2H3
InChIKeyAXLGQLBNHMMUCF-UHFFFAOYSA-N
XLogP6.00
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.12
LogP ≤ 56.00
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

(5-bromo-4-fluoro-2-methoxyphenyl)-[1-(2-methylpropyl)cyclopentyl]methanol
CID 103396133
N-[(5-bromo-4-fluoro-2-methoxyphenyl)-(1-methylcyclopentyl)methyl]ethanamine
CID 103394756
1-bromo-5-[bromo-(1-phenylcyclopropyl)methyl]-2-fluoro-4-methoxybenzene
CID 103396581
1-bromo-5-[1-chloro-2-(1-methoxycyclobutyl)ethyl]-2-fluoro-4-methoxybenzene
CID 103557900
1-bromo-5-(1-bromo-2-ethylbutyl)-2-fluoro-4-methoxybenzene
CID 103396544
1-bromo-5-[bromo-(2-methylcyclopropyl)methyl]-2-fluoro-4-methoxybenzene
CID 103396390
1-(5-bromo-4-fluoro-2-methoxyphenyl)pentan-1-amine
CID 103394326
(5-bromo-4-fluoro-2-methoxyphenyl)-(2,2-dimethylcyclopentyl)methanamine
CID 107178296
1-bromo-5-[bromo-(3-bromophenyl)methyl]-2-fluoro-4-methoxybenzene
CID 103396388
1-(5-bromo-4-fluoro-2-methoxyphenyl)-N-methylbutan-1-amine
CID 103394558
3-[bromo-(5-bromo-4-fluoro-2-methoxyphenyl)methyl]bicyclo[3.1.0]hexane
CID 103396537
1-bromo-4-ethoxy-2-fluoro-5-methoxybenzene
CID 69098703

Frequently Asked Questions

What is the IUPAC name of 1-bromo-5-[bromo-(1-ethylcyclopentyl)methyl]-2-fluoro-4-methoxybenzene?
The IUPAC name of 1-bromo-5-[bromo-(1-ethylcyclopentyl)methyl]-2-fluoro-4-methoxybenzene (CID 103396453) is 1-bromo-5-[bromo-(1-ethylcyclopentyl)methyl]-2-fluoro-4-methoxybenzene.
What is the SMILES notation for 1-bromo-5-[bromo-(1-ethylcyclopentyl)methyl]-2-fluoro-4-methoxybenzene?
The canonical SMILES for 1-bromo-5-[bromo-(1-ethylcyclopentyl)methyl]-2-fluoro-4-methoxybenzene is CCC1(C(Br)c2cc(Br)c(F)cc2OC)CCCC1.
What is the InChIKey of 1-bromo-5-[bromo-(1-ethylcyclopentyl)methyl]-2-fluoro-4-methoxybenzene?
The InChIKey is AXLGQLBNHMMUCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19Br2FO/c1-3-15(6-4-5-7-15)14(17)10-8-11(16)12(18)9-13(10)19-2/h8-9,14H,3-7H2,1-2H3.
What are the key properties of 1-bromo-5-[bromo-(1-ethylcyclopentyl)methyl]-2-fluoro-4-methoxybenzene?
1-bromo-5-[bromo-(1-ethylcyclopentyl)methyl]-2-fluoro-4-methoxybenzene has a molecular weight of 394.12 g/mol, XLogP of 6.00, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-5-[bromo-(1-ethylcyclopentyl)methyl]-2-fluoro-4-methoxybenzene is sourced from PubChem (CID 103396453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).