1-[(2,4-difluorophenyl)methyl]azocane

C14H19F2N — CID 791447

IUPAC1-[(2,4-difluorophenyl)methyl]azocane
SMILESFc1ccc(CN2CCCCCCC2)c(F)c1
InChIInChI=1S/C14H19F2N/c15-13-7-6-12(14(16)10-13)11-17-8-4-2-1-3-5-9-17/h6-7,10H,1-5,8-9,11H2
InChIKeyJFWUGIALVILKQF-UHFFFAOYSA-N
MW239.31 g/mol
LogP3.73
Rot. Bonds2

About 1-[(2,4-difluorophenyl)methyl]azocane

1-[(2,4-difluorophenyl)methyl]azocane (PubChem CID 791447) has the molecular formula C14H19F2N and a molecular weight of 239.31 g/mol. Its IUPAC name is 1-[(2,4-difluorophenyl)methyl]azocane.

Molecular Properties

Compound Name1-[(2,4-difluorophenyl)methyl]azocane
PubChem CID791447
Molecular FormulaC14H19F2N
Molecular Weight239.31 g/mol
Exact Mass239.15
IUPAC Name1-[(2,4-difluorophenyl)methyl]azocane
SMILESFc1ccc(CN2CCCCCCC2)c(F)c1
InChIInChI=1S/C14H19F2N/c15-13-7-6-12(14(16)10-13)11-17-8-4-2-1-3-5-9-17/h6-7,10H,1-5,8-9,11H2
InChIKeyJFWUGIALVILKQF-UHFFFAOYSA-N
XLogP3.73
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.31
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[(2,4-difluorophenyl)methyl]azocane?
The IUPAC name of 1-[(2,4-difluorophenyl)methyl]azocane (CID 791447) is 1-[(2,4-difluorophenyl)methyl]azocane.
What is the SMILES notation for 1-[(2,4-difluorophenyl)methyl]azocane?
The canonical SMILES for 1-[(2,4-difluorophenyl)methyl]azocane is Fc1ccc(CN2CCCCCCC2)c(F)c1.
What is the InChIKey of 1-[(2,4-difluorophenyl)methyl]azocane?
The InChIKey is JFWUGIALVILKQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F2N/c15-13-7-6-12(14(16)10-13)11-17-8-4-2-1-3-5-9-17/h6-7,10H,1-5,8-9,11H2.
What are the key properties of 1-[(2,4-difluorophenyl)methyl]azocane?
1-[(2,4-difluorophenyl)methyl]azocane has a molecular weight of 239.31 g/mol, XLogP of 3.73, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,4-difluorophenyl)methyl]azocane is sourced from PubChem (CID 791447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).