1-(2,4-difluorophenyl)-2-methyldiazinane

C11H14F2N2 — CID 59602841

IUPAC1-(2,4-difluorophenyl)-2-methyldiazinane
SMILESCN1CCCCN1c1ccc(F)cc1F
InChIInChI=1S/C11H14F2N2/c1-14-6-2-3-7-15(14)11-5-4-9(12)8-10(11)13/h4-5,8H,2-3,6-7H2,1H3
InChIKeyMCXIGKFQONSRJN-UHFFFAOYSA-N
MW212.24 g/mol
LogP2.41
Rot. Bonds1

About 1-(2,4-difluorophenyl)-2-methyldiazinane

1-(2,4-difluorophenyl)-2-methyldiazinane (PubChem CID 59602841) has the molecular formula C11H14F2N2 and a molecular weight of 212.24 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)-2-methyldiazinane.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)-2-methyldiazinane
PubChem CID59602841
Molecular FormulaC11H14F2N2
Molecular Weight212.24 g/mol
Exact Mass212.11
IUPAC Name1-(2,4-difluorophenyl)-2-methyldiazinane
SMILESCN1CCCCN1c1ccc(F)cc1F
InChIInChI=1S/C11H14F2N2/c1-14-6-2-3-7-15(14)11-5-4-9(12)8-10(11)13/h4-5,8H,2-3,6-7H2,1H3
InChIKeyMCXIGKFQONSRJN-UHFFFAOYSA-N
XLogP2.41
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.24
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)-2-methyldiazinane?
The IUPAC name of 1-(2,4-difluorophenyl)-2-methyldiazinane (CID 59602841) is 1-(2,4-difluorophenyl)-2-methyldiazinane.
What is the SMILES notation for 1-(2,4-difluorophenyl)-2-methyldiazinane?
The canonical SMILES for 1-(2,4-difluorophenyl)-2-methyldiazinane is CN1CCCCN1c1ccc(F)cc1F.
What is the InChIKey of 1-(2,4-difluorophenyl)-2-methyldiazinane?
The InChIKey is MCXIGKFQONSRJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F2N2/c1-14-6-2-3-7-15(14)11-5-4-9(12)8-10(11)13/h4-5,8H,2-3,6-7H2,1H3.
What are the key properties of 1-(2,4-difluorophenyl)-2-methyldiazinane?
1-(2,4-difluorophenyl)-2-methyldiazinane has a molecular weight of 212.24 g/mol, XLogP of 2.41, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorophenyl)-2-methyldiazinane is sourced from PubChem (CID 59602841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).