6-fluoro-1,4-dimethyl-1,4-diazepane

C7H15FN2 — CID 118068304

IUPAC6-fluoro-1,4-dimethyl-1,4-diazepane
SMILESCN1CCN(C)CC(F)C1
InChIInChI=1S/C7H15FN2/c1-9-3-4-10(2)6-7(8)5-9/h7H,3-6H2,1-2H3
InChIKeyKKGPDEMFRYGXLH-UHFFFAOYSA-N
MW146.21 g/mol
LogP0.20
Rot. Bonds

About 6-fluoro-1,4-dimethyl-1,4-diazepane

6-fluoro-1,4-dimethyl-1,4-diazepane (PubChem CID 118068304) has the molecular formula C7H15FN2 and a molecular weight of 146.21 g/mol. Its IUPAC name is 6-fluoro-1,4-dimethyl-1,4-diazepane.

Molecular Properties

Compound Name6-fluoro-1,4-dimethyl-1,4-diazepane
PubChem CID118068304
Molecular FormulaC7H15FN2
Molecular Weight146.21 g/mol
Exact Mass146.12
IUPAC Name6-fluoro-1,4-dimethyl-1,4-diazepane
SMILESCN1CCN(C)CC(F)C1
InChIInChI=1S/C7H15FN2/c1-9-3-4-10(2)6-7(8)5-9/h7H,3-6H2,1-2H3
InChIKeyKKGPDEMFRYGXLH-UHFFFAOYSA-N
XLogP0.20
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.21
LogP ≤ 50.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-1,4-dimethyl-1,4-diazepane?
The IUPAC name of 6-fluoro-1,4-dimethyl-1,4-diazepane (CID 118068304) is 6-fluoro-1,4-dimethyl-1,4-diazepane.
What is the SMILES notation for 6-fluoro-1,4-dimethyl-1,4-diazepane?
The canonical SMILES for 6-fluoro-1,4-dimethyl-1,4-diazepane is CN1CCN(C)CC(F)C1.
What is the InChIKey of 6-fluoro-1,4-dimethyl-1,4-diazepane?
The InChIKey is KKGPDEMFRYGXLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15FN2/c1-9-3-4-10(2)6-7(8)5-9/h7H,3-6H2,1-2H3.
What are the key properties of 6-fluoro-1,4-dimethyl-1,4-diazepane?
6-fluoro-1,4-dimethyl-1,4-diazepane has a molecular weight of 146.21 g/mol, XLogP of 0.20, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-1,4-dimethyl-1,4-diazepane is sourced from PubChem (CID 118068304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).