4-(2,5-difluorophenoxy)azepane

C12H15F2NO — CID 63905212

IUPAC4-(2,5-difluorophenoxy)azepane
SMILESFc1ccc(F)c(OC2CCCNCC2)c1
InChIInChI=1S/C12H15F2NO/c13-9-3-4-11(14)12(8-9)16-10-2-1-6-15-7-5-10/h3-4,8,10,15H,1-2,5-7H2
InChIKeyYUZDICREXYSQGA-UHFFFAOYSA-N
MW227.25 g/mol
LogP2.49
Rot. Bonds2

About 4-(2,5-difluorophenoxy)azepane

4-(2,5-difluorophenoxy)azepane (PubChem CID 63905212) has the molecular formula C12H15F2NO and a molecular weight of 227.25 g/mol. Its IUPAC name is 4-(2,5-difluorophenoxy)azepane.

Molecular Properties

Compound Name4-(2,5-difluorophenoxy)azepane
PubChem CID63905212
Molecular FormulaC12H15F2NO
Molecular Weight227.25 g/mol
Exact Mass227.11
IUPAC Name4-(2,5-difluorophenoxy)azepane
SMILESFc1ccc(F)c(OC2CCCNCC2)c1
InChIInChI=1S/C12H15F2NO/c13-9-3-4-11(14)12(8-9)16-10-2-1-6-15-7-5-10/h3-4,8,10,15H,1-2,5-7H2
InChIKeyYUZDICREXYSQGA-UHFFFAOYSA-N
XLogP2.49
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.25
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-cyclobutyloxy-1,4-difluorobenzene
CID 130038404
4-(3,4-difluorophenoxy)azepane
CID 63904830
4-(2-fluoro-3-methylphenoxy)azepane
CID 107661448
4-(4-chloro-2-fluorophenoxy)piperidine;hydrochloride
CID 46735703
4-(2-tert-butyl-4-fluorophenoxy)piperidine
CID 46941721
4-(2-ethyl-4-fluorophenoxy)piperidine
CID 22397525
3-[2-fluoro-5-(trifluoromethyl)phenoxy]piperidine
CID 83807041
4-(4-chlorophenoxy)azepane
CID 63904264
3-(2,4-difluorophenoxy)pyrrolidine;hydrochloride
CID 86262649
3-(2-bromo-4-fluorophenoxy)piperidine
CID 24902400
4-(4-bromo-2,5-difluorophenoxy)piperidine
CID 168665362
4-fluoro-3-[(3R)-pyrrolidin-3-yl]oxyaniline
CID 159690612

Frequently Asked Questions

What is the IUPAC name of 4-(2,5-difluorophenoxy)azepane?
The IUPAC name of 4-(2,5-difluorophenoxy)azepane (CID 63905212) is 4-(2,5-difluorophenoxy)azepane.
What is the SMILES notation for 4-(2,5-difluorophenoxy)azepane?
The canonical SMILES for 4-(2,5-difluorophenoxy)azepane is Fc1ccc(F)c(OC2CCCNCC2)c1.
What is the InChIKey of 4-(2,5-difluorophenoxy)azepane?
The InChIKey is YUZDICREXYSQGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F2NO/c13-9-3-4-11(14)12(8-9)16-10-2-1-6-15-7-5-10/h3-4,8,10,15H,1-2,5-7H2.
What are the key properties of 4-(2,5-difluorophenoxy)azepane?
4-(2,5-difluorophenoxy)azepane has a molecular weight of 227.25 g/mol, XLogP of 2.49, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-difluorophenoxy)azepane is sourced from PubChem (CID 63905212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).