4-(2,3-difluorophenyl)azepane

C12H15F2N — CID 83262443

IUPAC4-(2,3-difluorophenyl)azepane
SMILESFc1cccc(C2CCCNCC2)c1F
InChIInChI=1S/C12H15F2N/c13-11-5-1-4-10(12(11)14)9-3-2-7-15-8-6-9/h1,4-5,9,15H,2-3,6-8H2
InChIKeyVZQQMYWJSOPUIG-UHFFFAOYSA-N
MW211.25 g/mol
LogP2.82
Rot. Bonds1

About 4-(2,3-difluorophenyl)azepane

4-(2,3-difluorophenyl)azepane (PubChem CID 83262443) has the molecular formula C12H15F2N and a molecular weight of 211.25 g/mol. Its IUPAC name is 4-(2,3-difluorophenyl)azepane.

Molecular Properties

Compound Name4-(2,3-difluorophenyl)azepane
PubChem CID83262443
Molecular FormulaC12H15F2N
Molecular Weight211.25 g/mol
Exact Mass211.12
IUPAC Name4-(2,3-difluorophenyl)azepane
SMILESFc1cccc(C2CCCNCC2)c1F
InChIInChI=1S/C12H15F2N/c13-11-5-1-4-10(12(11)14)9-3-2-7-15-8-6-9/h1,4-5,9,15H,2-3,6-8H2
InChIKeyVZQQMYWJSOPUIG-UHFFFAOYSA-N
XLogP2.82
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.25
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-(2,3-difluorophenyl)azepane?
The IUPAC name of 4-(2,3-difluorophenyl)azepane (CID 83262443) is 4-(2,3-difluorophenyl)azepane.
What is the SMILES notation for 4-(2,3-difluorophenyl)azepane?
The canonical SMILES for 4-(2,3-difluorophenyl)azepane is Fc1cccc(C2CCCNCC2)c1F.
What is the InChIKey of 4-(2,3-difluorophenyl)azepane?
The InChIKey is VZQQMYWJSOPUIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F2N/c13-11-5-1-4-10(12(11)14)9-3-2-7-15-8-6-9/h1,4-5,9,15H,2-3,6-8H2.
What are the key properties of 4-(2,3-difluorophenyl)azepane?
4-(2,3-difluorophenyl)azepane has a molecular weight of 211.25 g/mol, XLogP of 2.82, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-difluorophenyl)azepane is sourced from PubChem (CID 83262443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).