1-(2-bromo-5-fluorophenyl)azepane

C12H15BrFN — CID 84713262

IUPAC1-(2-bromo-5-fluorophenyl)azepane
SMILESFc1ccc(Br)c(N2CCCCCC2)c1
InChIInChI=1S/C12H15BrFN/c13-11-6-5-10(14)9-12(11)15-7-3-1-2-4-8-15/h5-6,9H,1-4,7-8H2
InChIKeyBISWFYAYUWGJHD-UHFFFAOYSA-N
MW272.16 g/mol
LogP3.97
Rot. Bonds1

About 1-(2-bromo-5-fluorophenyl)azepane

1-(2-bromo-5-fluorophenyl)azepane (PubChem CID 84713262) has the molecular formula C12H15BrFN and a molecular weight of 272.16 g/mol. Its IUPAC name is 1-(2-bromo-5-fluorophenyl)azepane.

Molecular Properties

Compound Name1-(2-bromo-5-fluorophenyl)azepane
PubChem CID84713262
Molecular FormulaC12H15BrFN
Molecular Weight272.16 g/mol
Exact Mass271.04
IUPAC Name1-(2-bromo-5-fluorophenyl)azepane
SMILESFc1ccc(Br)c(N2CCCCCC2)c1
InChIInChI=1S/C12H15BrFN/c13-11-6-5-10(14)9-12(11)15-7-3-1-2-4-8-15/h5-6,9H,1-4,7-8H2
InChIKeyBISWFYAYUWGJHD-UHFFFAOYSA-N
XLogP3.97
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.16
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2,5-difluorophenyl)piperidine
CID 22638080
(3R)-1-(2-bromo-5-fluorophenyl)piperidin-3-ol
CID 170753354
1-(2-chloro-4-fluorophenyl)piperidine
CID 174904360
(4-fluoro-2-pyrrolidin-1-ylphenyl)boronic acid
CID 147882960
1-(2-bromo-5-fluorophenyl)-3-methylazetidine
CID 107641053
1-(2-bromo-5-fluorophenyl)-3-cyclohexyl-1,4-diazepane
CID 107640057
2-(azepan-1-yl)-5-fluoroaniline
CID 6485407
2-(azocan-1-yl)-5-fluoroaniline
CID 28799703
5-fluoro-2-piperidin-1-ylaniline
CID 6485403
2-(azepan-1-yl)-4-fluorobenzoic acid
CID 79686942
1-(2-bromo-5-fluorophenyl)-N-ethylpiperidin-4-amine
CID 107636369
1-(2-bromo-5-fluorophenyl)-3-tert-butyl-1,4-diazepane
CID 107640121

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-5-fluorophenyl)azepane?
The IUPAC name of 1-(2-bromo-5-fluorophenyl)azepane (CID 84713262) is 1-(2-bromo-5-fluorophenyl)azepane.
What is the SMILES notation for 1-(2-bromo-5-fluorophenyl)azepane?
The canonical SMILES for 1-(2-bromo-5-fluorophenyl)azepane is Fc1ccc(Br)c(N2CCCCCC2)c1.
What is the InChIKey of 1-(2-bromo-5-fluorophenyl)azepane?
The InChIKey is BISWFYAYUWGJHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrFN/c13-11-6-5-10(14)9-12(11)15-7-3-1-2-4-8-15/h5-6,9H,1-4,7-8H2.
What are the key properties of 1-(2-bromo-5-fluorophenyl)azepane?
1-(2-bromo-5-fluorophenyl)azepane has a molecular weight of 272.16 g/mol, XLogP of 3.97, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-5-fluorophenyl)azepane is sourced from PubChem (CID 84713262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).