(7R)-3,3-difluoro-7-methoxyazocane

C8H15F2NO — CID 142306549

IUPAC(7R)-3,3-difluoro-7-methoxyazocane
SMILESCO[C@@H]1CCCC(F)(F)CNC1
InChIInChI=1S/C8H15F2NO/c1-12-7-3-2-4-8(9,10)6-11-5-7/h7,11H,2-6H2,1H3/t7-/m1/s1
InChIKeyIQAFVYOKLJNLRM-SSDOTTSWSA-N
MW179.21 g/mol
LogP1.41
Rot. Bonds1

About (7R)-3,3-difluoro-7-methoxyazocane

(7R)-3,3-difluoro-7-methoxyazocane (PubChem CID 142306549) has the molecular formula C8H15F2NO and a molecular weight of 179.21 g/mol. Its IUPAC name is (7R)-3,3-difluoro-7-methoxyazocane.

Molecular Properties

Compound Name(7R)-3,3-difluoro-7-methoxyazocane
PubChem CID142306549
Molecular FormulaC8H15F2NO
Molecular Weight179.21 g/mol
Exact Mass179.11
IUPAC Name(7R)-3,3-difluoro-7-methoxyazocane
SMILESCO[C@@H]1CCCC(F)(F)CNC1
InChIInChI=1S/C8H15F2NO/c1-12-7-3-2-4-8(9,10)6-11-5-7/h7,11H,2-6H2,1H3/t7-/m1/s1
InChIKeyIQAFVYOKLJNLRM-SSDOTTSWSA-N
XLogP1.41
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.21
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (7R)-3,3-difluoro-7-methoxyazocane?
The IUPAC name of (7R)-3,3-difluoro-7-methoxyazocane (CID 142306549) is (7R)-3,3-difluoro-7-methoxyazocane.
What is the SMILES notation for (7R)-3,3-difluoro-7-methoxyazocane?
The canonical SMILES for (7R)-3,3-difluoro-7-methoxyazocane is CO[C@@H]1CCCC(F)(F)CNC1.
What is the InChIKey of (7R)-3,3-difluoro-7-methoxyazocane?
The InChIKey is IQAFVYOKLJNLRM-SSDOTTSWSA-N. The full InChI is InChI=1S/C8H15F2NO/c1-12-7-3-2-4-8(9,10)6-11-5-7/h7,11H,2-6H2,1H3/t7-/m1/s1.
What are the key properties of (7R)-3,3-difluoro-7-methoxyazocane?
(7R)-3,3-difluoro-7-methoxyazocane has a molecular weight of 179.21 g/mol, XLogP of 1.41, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (7R)-3,3-difluoro-7-methoxyazocane is sourced from PubChem (CID 142306549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).