4-tert-butyl-6-(difluoromethyl)-3-methoxydiazinane

C10H20F2N2O — CID 176834452

IUPAC4-tert-butyl-6-(difluoromethyl)-3-methoxydiazinane
SMILESCOC1NNC(C(F)F)CC1C(C)(C)C
InChIInChI=1S/C10H20F2N2O/c1-10(2,3)6-5-7(8(11)12)13-14-9(6)15-4/h6-9,13-14H,5H2,1-4H3
InChIKeyAJZWLYVMAVHPDR-UHFFFAOYSA-N
MW222.28 g/mol
LogP1.75
Rot. Bonds2

About 4-tert-butyl-6-(difluoromethyl)-3-methoxydiazinane

4-tert-butyl-6-(difluoromethyl)-3-methoxydiazinane (PubChem CID 176834452) has the molecular formula C10H20F2N2O and a molecular weight of 222.28 g/mol. Its IUPAC name is 4-tert-butyl-6-(difluoromethyl)-3-methoxydiazinane.

Molecular Properties

Compound Name4-tert-butyl-6-(difluoromethyl)-3-methoxydiazinane
PubChem CID176834452
Molecular FormulaC10H20F2N2O
Molecular Weight222.28 g/mol
Exact Mass222.15
IUPAC Name4-tert-butyl-6-(difluoromethyl)-3-methoxydiazinane
SMILESCOC1NNC(C(F)F)CC1C(C)(C)C
InChIInChI=1S/C10H20F2N2O/c1-10(2,3)6-5-7(8(11)12)13-14-9(6)15-4/h6-9,13-14H,5H2,1-4H3
InChIKeyAJZWLYVMAVHPDR-UHFFFAOYSA-N
XLogP1.75
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.28
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-6-(difluoromethyl)-3-methoxydiazinane?
The IUPAC name of 4-tert-butyl-6-(difluoromethyl)-3-methoxydiazinane (CID 176834452) is 4-tert-butyl-6-(difluoromethyl)-3-methoxydiazinane.
What is the SMILES notation for 4-tert-butyl-6-(difluoromethyl)-3-methoxydiazinane?
The canonical SMILES for 4-tert-butyl-6-(difluoromethyl)-3-methoxydiazinane is COC1NNC(C(F)F)CC1C(C)(C)C.
What is the InChIKey of 4-tert-butyl-6-(difluoromethyl)-3-methoxydiazinane?
The InChIKey is AJZWLYVMAVHPDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20F2N2O/c1-10(2,3)6-5-7(8(11)12)13-14-9(6)15-4/h6-9,13-14H,5H2,1-4H3.
What are the key properties of 4-tert-butyl-6-(difluoromethyl)-3-methoxydiazinane?
4-tert-butyl-6-(difluoromethyl)-3-methoxydiazinane has a molecular weight of 222.28 g/mol, XLogP of 1.75, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-6-(difluoromethyl)-3-methoxydiazinane is sourced from PubChem (CID 176834452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).