6,6-difluoro-1,4-dimethyl-1,4-diazepane;ethane;1,4,5-trimethyl-1,4-diazepane

C19H44F2N4 — CID 177212485

IUPAC6,6-difluoro-1,4-dimethyl-1,4-diazepane;ethane;1,4,5-trimethyl-1,4-diazepane
SMILESCC.CC.CC1CCN(C)CCN1C.CN1CCN(C)CC(F)(F)C1
InChIInChI=1S/C8H18N2.C7H14F2N2.2C2H6/c1-8-4-5-9(2)6-7-10(8)3;1-10-3-4-11(2)6-7(8,9)5-10;2*1-2/h8H,4-7H2,1-3H3;3-6H2,1-2H3;2*1-2H3
InChIKeyHYGWDUFJEJEXRY-UHFFFAOYSA-N
MW366.59 g/mol
LogP3.19
Rot. Bonds

About 6,6-difluoro-1,4-dimethyl-1,4-diazepane;ethane;1,4,5-trimethyl-1,4-diazepane

6,6-difluoro-1,4-dimethyl-1,4-diazepane;ethane;1,4,5-trimethyl-1,4-diazepane (PubChem CID 177212485) has the molecular formula C19H44F2N4 and a molecular weight of 366.59 g/mol. Its IUPAC name is 6,6-difluoro-1,4-dimethyl-1,4-diazepane;ethane;1,4,5-trimethyl-1,4-diazepane.

Molecular Properties

Compound Name6,6-difluoro-1,4-dimethyl-1,4-diazepane;ethane;1,4,5-trimethyl-1,4-diazepane
PubChem CID177212485
Molecular FormulaC19H44F2N4
Molecular Weight366.59 g/mol
Exact Mass366.35
IUPAC Name6,6-difluoro-1,4-dimethyl-1,4-diazepane;ethane;1,4,5-trimethyl-1,4-diazepane
SMILESCC.CC.CC1CCN(C)CCN1C.CN1CCN(C)CC(F)(F)C1
InChIInChI=1S/C8H18N2.C7H14F2N2.2C2H6/c1-8-4-5-9(2)6-7-10(8)3;1-10-3-4-11(2)6-7(8,9)5-10;2*1-2/h8H,4-7H2,1-3H3;3-6H2,1-2H3;2*1-2H3
InChIKeyHYGWDUFJEJEXRY-UHFFFAOYSA-N
XLogP3.19
TPSA12.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.59
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6,6-difluoro-1,4-dimethyl-1,4-diazepane;ethane;1,4,5-trimethyl-1,4-diazepane?
The IUPAC name of 6,6-difluoro-1,4-dimethyl-1,4-diazepane;ethane;1,4,5-trimethyl-1,4-diazepane (CID 177212485) is 6,6-difluoro-1,4-dimethyl-1,4-diazepane;ethane;1,4,5-trimethyl-1,4-diazepane.
What is the SMILES notation for 6,6-difluoro-1,4-dimethyl-1,4-diazepane;ethane;1,4,5-trimethyl-1,4-diazepane?
The canonical SMILES for 6,6-difluoro-1,4-dimethyl-1,4-diazepane;ethane;1,4,5-trimethyl-1,4-diazepane is CC.CC.CC1CCN(C)CCN1C.CN1CCN(C)CC(F)(F)C1.
What is the InChIKey of 6,6-difluoro-1,4-dimethyl-1,4-diazepane;ethane;1,4,5-trimethyl-1,4-diazepane?
The InChIKey is HYGWDUFJEJEXRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2.C7H14F2N2.2C2H6/c1-8-4-5-9(2)6-7-10(8)3;1-10-3-4-11(2)6-7(8,9)5-10;2*1-2/h8H,4-7H2,1-3H3;3-6H2,1-2H3;2*1-2H3.
What are the key properties of 6,6-difluoro-1,4-dimethyl-1,4-diazepane;ethane;1,4,5-trimethyl-1,4-diazepane?
6,6-difluoro-1,4-dimethyl-1,4-diazepane;ethane;1,4,5-trimethyl-1,4-diazepane has a molecular weight of 366.59 g/mol, XLogP of 3.19, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-difluoro-1,4-dimethyl-1,4-diazepane;ethane;1,4,5-trimethyl-1,4-diazepane is sourced from PubChem (CID 177212485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).