5-(2-fluorophenyl)-2,2-dimethyl-1,3-diazinane

C12H17FN2 — CID 21290603

IUPAC5-(2-fluorophenyl)-2,2-dimethyl-1,3-diazinane
SMILESCC1(C)NCC(c2ccccc2F)CN1
InChIInChI=1S/C12H17FN2/c1-12(2)14-7-9(8-15-12)10-5-3-4-6-11(10)13/h3-6,9,14-15H,7-8H2,1-2H3
InChIKeyHMEOZMSUTLHHGF-UHFFFAOYSA-N
MW208.28 g/mol
LogP1.84
Rot. Bonds1

About 5-(2-fluorophenyl)-2,2-dimethyl-1,3-diazinane

5-(2-fluorophenyl)-2,2-dimethyl-1,3-diazinane (PubChem CID 21290603) has the molecular formula C12H17FN2 and a molecular weight of 208.28 g/mol. Its IUPAC name is 5-(2-fluorophenyl)-2,2-dimethyl-1,3-diazinane.

Molecular Properties

Compound Name5-(2-fluorophenyl)-2,2-dimethyl-1,3-diazinane
PubChem CID21290603
Molecular FormulaC12H17FN2
Molecular Weight208.28 g/mol
Exact Mass208.14
IUPAC Name5-(2-fluorophenyl)-2,2-dimethyl-1,3-diazinane
SMILESCC1(C)NCC(c2ccccc2F)CN1
InChIInChI=1S/C12H17FN2/c1-12(2)14-7-9(8-15-12)10-5-3-4-6-11(10)13/h3-6,9,14-15H,7-8H2,1-2H3
InChIKeyHMEOZMSUTLHHGF-UHFFFAOYSA-N
XLogP1.84
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.28
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(2-fluorophenyl)-2,2-dimethyl-1,3-diazinane?
The IUPAC name of 5-(2-fluorophenyl)-2,2-dimethyl-1,3-diazinane (CID 21290603) is 5-(2-fluorophenyl)-2,2-dimethyl-1,3-diazinane.
What is the SMILES notation for 5-(2-fluorophenyl)-2,2-dimethyl-1,3-diazinane?
The canonical SMILES for 5-(2-fluorophenyl)-2,2-dimethyl-1,3-diazinane is CC1(C)NCC(c2ccccc2F)CN1.
What is the InChIKey of 5-(2-fluorophenyl)-2,2-dimethyl-1,3-diazinane?
The InChIKey is HMEOZMSUTLHHGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2/c1-12(2)14-7-9(8-15-12)10-5-3-4-6-11(10)13/h3-6,9,14-15H,7-8H2,1-2H3.
What are the key properties of 5-(2-fluorophenyl)-2,2-dimethyl-1,3-diazinane?
5-(2-fluorophenyl)-2,2-dimethyl-1,3-diazinane has a molecular weight of 208.28 g/mol, XLogP of 1.84, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-fluorophenyl)-2,2-dimethyl-1,3-diazinane is sourced from PubChem (CID 21290603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).