3,4-difluoro-2,5-dihydroazocine

C7H7F2N — CID 123871586

IUPAC3,4-difluoro-2,5-dihydroazocine
SMILESFC1=C(F)C/N=C\C=CC1
InChIInChI=1S/C7H7F2N/c8-6-3-1-2-4-10-5-7(6)9/h1-2,4H,3,5H2/b2-1?,7-6?,10-4-
InChIKeyGBLKFOVMHSLQHP-JDDHMWKWSA-N
MW143.14 g/mol
LogP2.17
Rot. Bonds

About 3,4-difluoro-2,5-dihydroazocine

3,4-difluoro-2,5-dihydroazocine (PubChem CID 123871586) has the molecular formula C7H7F2N and a molecular weight of 143.14 g/mol. Its IUPAC name is 3,4-difluoro-2,5-dihydroazocine.

Molecular Properties

Compound Name3,4-difluoro-2,5-dihydroazocine
PubChem CID123871586
Molecular FormulaC7H7F2N
Molecular Weight143.14 g/mol
Exact Mass143.05
IUPAC Name3,4-difluoro-2,5-dihydroazocine
SMILESFC1=C(F)C/N=C\C=CC1
InChIInChI=1S/C7H7F2N/c8-6-3-1-2-4-10-5-7(6)9/h1-2,4H,3,5H2/b2-1?,7-6?,10-4-
InChIKeyGBLKFOVMHSLQHP-JDDHMWKWSA-N
XLogP2.17
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.14
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,4-difluoro-2,5-dihydroazocine?
The IUPAC name of 3,4-difluoro-2,5-dihydroazocine (CID 123871586) is 3,4-difluoro-2,5-dihydroazocine.
What is the SMILES notation for 3,4-difluoro-2,5-dihydroazocine?
The canonical SMILES for 3,4-difluoro-2,5-dihydroazocine is FC1=C(F)C/N=C\C=CC1.
What is the InChIKey of 3,4-difluoro-2,5-dihydroazocine?
The InChIKey is GBLKFOVMHSLQHP-JDDHMWKWSA-N. The full InChI is InChI=1S/C7H7F2N/c8-6-3-1-2-4-10-5-7(6)9/h1-2,4H,3,5H2/b2-1?,7-6?,10-4-.
What are the key properties of 3,4-difluoro-2,5-dihydroazocine?
3,4-difluoro-2,5-dihydroazocine has a molecular weight of 143.14 g/mol, XLogP of 2.17, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-difluoro-2,5-dihydroazocine is sourced from PubChem (CID 123871586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).