2,2-difluoro-1,3-di(propan-2-yl)-1,3-diazinane

C10H20F2N2 — CID 139944450

IUPAC2,2-difluoro-1,3-di(propan-2-yl)-1,3-diazinane
SMILESCC(C)N1CCCN(C(C)C)C1(F)F
InChIInChI=1S/C10H20F2N2/c1-8(2)13-6-5-7-14(9(3)4)10(13,11)12/h8-9H,5-7H2,1-4H3
InChIKeyMEDZVLFOPRNAGH-UHFFFAOYSA-N
MW206.28 g/mol
LogP2.36
Rot. Bonds2

About 2,2-difluoro-1,3-di(propan-2-yl)-1,3-diazinane

2,2-difluoro-1,3-di(propan-2-yl)-1,3-diazinane (PubChem CID 139944450) has the molecular formula C10H20F2N2 and a molecular weight of 206.28 g/mol. Its IUPAC name is 2,2-difluoro-1,3-di(propan-2-yl)-1,3-diazinane.

Molecular Properties

Compound Name2,2-difluoro-1,3-di(propan-2-yl)-1,3-diazinane
PubChem CID139944450
Molecular FormulaC10H20F2N2
Molecular Weight206.28 g/mol
Exact Mass206.16
IUPAC Name2,2-difluoro-1,3-di(propan-2-yl)-1,3-diazinane
SMILESCC(C)N1CCCN(C(C)C)C1(F)F
InChIInChI=1S/C10H20F2N2/c1-8(2)13-6-5-7-14(9(3)4)10(13,11)12/h8-9H,5-7H2,1-4H3
InChIKeyMEDZVLFOPRNAGH-UHFFFAOYSA-N
XLogP2.36
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.28
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-1,3-di(propan-2-yl)-1,3-diazinane?
The IUPAC name of 2,2-difluoro-1,3-di(propan-2-yl)-1,3-diazinane (CID 139944450) is 2,2-difluoro-1,3-di(propan-2-yl)-1,3-diazinane.
What is the SMILES notation for 2,2-difluoro-1,3-di(propan-2-yl)-1,3-diazinane?
The canonical SMILES for 2,2-difluoro-1,3-di(propan-2-yl)-1,3-diazinane is CC(C)N1CCCN(C(C)C)C1(F)F.
What is the InChIKey of 2,2-difluoro-1,3-di(propan-2-yl)-1,3-diazinane?
The InChIKey is MEDZVLFOPRNAGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20F2N2/c1-8(2)13-6-5-7-14(9(3)4)10(13,11)12/h8-9H,5-7H2,1-4H3.
What are the key properties of 2,2-difluoro-1,3-di(propan-2-yl)-1,3-diazinane?
2,2-difluoro-1,3-di(propan-2-yl)-1,3-diazinane has a molecular weight of 206.28 g/mol, XLogP of 2.36, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-1,3-di(propan-2-yl)-1,3-diazinane is sourced from PubChem (CID 139944450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).