4-[(2,5-difluorophenyl)methyl]azepane

C13H17F2N — CID 83262438

IUPAC4-[(2,5-difluorophenyl)methyl]azepane
SMILESFc1ccc(F)c(CC2CCCNCC2)c1
InChIInChI=1S/C13H17F2N/c14-12-3-4-13(15)11(9-12)8-10-2-1-6-16-7-5-10/h3-4,9-10,16H,1-2,5-8H2
InChIKeyWYADSUFBGHRXFZ-UHFFFAOYSA-N
MW225.28 g/mol
LogP2.90
Rot. Bonds2

About 4-[(2,5-difluorophenyl)methyl]azepane

4-[(2,5-difluorophenyl)methyl]azepane (PubChem CID 83262438) has the molecular formula C13H17F2N and a molecular weight of 225.28 g/mol. Its IUPAC name is 4-[(2,5-difluorophenyl)methyl]azepane.

Molecular Properties

Compound Name4-[(2,5-difluorophenyl)methyl]azepane
PubChem CID83262438
Molecular FormulaC13H17F2N
Molecular Weight225.28 g/mol
Exact Mass225.13
IUPAC Name4-[(2,5-difluorophenyl)methyl]azepane
SMILESFc1ccc(F)c(CC2CCCNCC2)c1
InChIInChI=1S/C13H17F2N/c14-12-3-4-13(15)11(9-12)8-10-2-1-6-16-7-5-10/h3-4,9-10,16H,1-2,5-8H2
InChIKeyWYADSUFBGHRXFZ-UHFFFAOYSA-N
XLogP2.90
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.28
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-[[2-fluoro-5-(4-fluorophenyl)phenyl]methyl]piperidine
CID 117463711
4-[[4-fluoro-2-(4-fluorophenoxy)phenyl]methyl]piperidine
CID 18669392
3-[2-(2,5-difluorophenyl)ethyl]piperidine
CID 62234772
4-[(2,5-difluorophenyl)methyl]cyclohexan-1-ol
CID 116928452
4-[(2-fluorophenyl)methyl]piperidine;hydrochloride
CID 46172843
4-[(3-bromo-4-fluorophenyl)methyl]azepane
CID 83262334
N-[(2,5-difluorophenyl)methyl]-2-(piperidin-4-ylmethyl)benzamide
CID 166209181
4-[(2,5-difluorophenyl)methyl]cyclohexan-1-one
CID 83261542
3-[(2,5-difluorophenyl)methyl]cycloheptan-1-ol
CID 64515583
N-[(2,5-difluorophenyl)methyl]-N-(piperidin-4-ylmethyl)cyclopentanamine;hydrochloride
CID 119932338
4-[(2-fluoro-4,5-dimethoxyphenyl)methyl]piperidine
CID 117386379
4-[(6-fluoro-1-benzofuran-3-yl)methyl]piperidine
CID 71261709

Frequently Asked Questions

What is the IUPAC name of 4-[(2,5-difluorophenyl)methyl]azepane?
The IUPAC name of 4-[(2,5-difluorophenyl)methyl]azepane (CID 83262438) is 4-[(2,5-difluorophenyl)methyl]azepane.
What is the SMILES notation for 4-[(2,5-difluorophenyl)methyl]azepane?
The canonical SMILES for 4-[(2,5-difluorophenyl)methyl]azepane is Fc1ccc(F)c(CC2CCCNCC2)c1.
What is the InChIKey of 4-[(2,5-difluorophenyl)methyl]azepane?
The InChIKey is WYADSUFBGHRXFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F2N/c14-12-3-4-13(15)11(9-12)8-10-2-1-6-16-7-5-10/h3-4,9-10,16H,1-2,5-8H2.
What are the key properties of 4-[(2,5-difluorophenyl)methyl]azepane?
4-[(2,5-difluorophenyl)methyl]azepane has a molecular weight of 225.28 g/mol, XLogP of 2.90, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,5-difluorophenyl)methyl]azepane is sourced from PubChem (CID 83262438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).