5,6-difluoro-2-methyl-4,5,6,7-tetrahydro-1H-1,3-diazepine

C6H10F2N2 — CID 58801089

IUPAC5,6-difluoro-2-methyl-4,5,6,7-tetrahydro-1H-1,3-diazepine
SMILESCC1=NCC(F)C(F)CN1
InChIInChI=1S/C6H10F2N2/c1-4-9-2-5(7)6(8)3-10-4/h5-6H,2-3H2,1H3,(H,9,10)
InChIKeyWSYUGUOQKLPDIQ-UHFFFAOYSA-N
MW148.16 g/mol
LogP0.68
Rot. Bonds

About 5,6-difluoro-2-methyl-4,5,6,7-tetrahydro-1H-1,3-diazepine

5,6-difluoro-2-methyl-4,5,6,7-tetrahydro-1H-1,3-diazepine (PubChem CID 58801089) has the molecular formula C6H10F2N2 and a molecular weight of 148.16 g/mol. Its IUPAC name is 5,6-difluoro-2-methyl-4,5,6,7-tetrahydro-1H-1,3-diazepine.

Molecular Properties

Compound Name5,6-difluoro-2-methyl-4,5,6,7-tetrahydro-1H-1,3-diazepine
PubChem CID58801089
Molecular FormulaC6H10F2N2
Molecular Weight148.16 g/mol
Exact Mass148.08
IUPAC Name5,6-difluoro-2-methyl-4,5,6,7-tetrahydro-1H-1,3-diazepine
SMILESCC1=NCC(F)C(F)CN1
InChIInChI=1S/C6H10F2N2/c1-4-9-2-5(7)6(8)3-10-4/h5-6H,2-3H2,1H3,(H,9,10)
InChIKeyWSYUGUOQKLPDIQ-UHFFFAOYSA-N
XLogP0.68
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.16
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5,6-difluoro-2-methyl-4,5,6,7-tetrahydro-1H-1,3-diazepine?
The IUPAC name of 5,6-difluoro-2-methyl-4,5,6,7-tetrahydro-1H-1,3-diazepine (CID 58801089) is 5,6-difluoro-2-methyl-4,5,6,7-tetrahydro-1H-1,3-diazepine.
What is the SMILES notation for 5,6-difluoro-2-methyl-4,5,6,7-tetrahydro-1H-1,3-diazepine?
The canonical SMILES for 5,6-difluoro-2-methyl-4,5,6,7-tetrahydro-1H-1,3-diazepine is CC1=NCC(F)C(F)CN1.
What is the InChIKey of 5,6-difluoro-2-methyl-4,5,6,7-tetrahydro-1H-1,3-diazepine?
The InChIKey is WSYUGUOQKLPDIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10F2N2/c1-4-9-2-5(7)6(8)3-10-4/h5-6H,2-3H2,1H3,(H,9,10).
What are the key properties of 5,6-difluoro-2-methyl-4,5,6,7-tetrahydro-1H-1,3-diazepine?
5,6-difluoro-2-methyl-4,5,6,7-tetrahydro-1H-1,3-diazepine has a molecular weight of 148.16 g/mol, XLogP of 0.68, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-difluoro-2-methyl-4,5,6,7-tetrahydro-1H-1,3-diazepine is sourced from PubChem (CID 58801089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).