3-(3-fluorophenyl)-5,5,6,6-tetramethyl-1,3-diazinane-2,4-dione

C14H17FN2O2 — CID 65261333

IUPAC3-(3-fluorophenyl)-5,5,6,6-tetramethyl-1,3-diazinane-2,4-dione
SMILESCC1(C)NC(=O)N(c2cccc(F)c2)C(=O)C1(C)C
InChIInChI=1S/C14H17FN2O2/c1-13(2)11(18)17(12(19)16-14(13,3)4)10-7-5-6-9(15)8-10/h5-8H,1-4H3,(H,16,19)
InChIKeySJWCSJZFBBNEIO-UHFFFAOYSA-N
MW264.30 g/mol
LogP2.69
Rot. Bonds1

About 3-(3-fluorophenyl)-5,5,6,6-tetramethyl-1,3-diazinane-2,4-dione

3-(3-fluorophenyl)-5,5,6,6-tetramethyl-1,3-diazinane-2,4-dione (PubChem CID 65261333) has the molecular formula C14H17FN2O2 and a molecular weight of 264.30 g/mol. Its IUPAC name is 3-(3-fluorophenyl)-5,5,6,6-tetramethyl-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Name3-(3-fluorophenyl)-5,5,6,6-tetramethyl-1,3-diazinane-2,4-dione
PubChem CID65261333
Molecular FormulaC14H17FN2O2
Molecular Weight264.30 g/mol
Exact Mass264.13
IUPAC Name3-(3-fluorophenyl)-5,5,6,6-tetramethyl-1,3-diazinane-2,4-dione
SMILESCC1(C)NC(=O)N(c2cccc(F)c2)C(=O)C1(C)C
InChIInChI=1S/C14H17FN2O2/c1-13(2)11(18)17(12(19)16-14(13,3)4)10-7-5-6-9(15)8-10/h5-8H,1-4H3,(H,16,19)
InChIKeySJWCSJZFBBNEIO-UHFFFAOYSA-N
XLogP2.69
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.30
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(3-fluorophenyl)-5,5,6,6-tetramethyl-1,3-diazinane-2,4-dione?
The IUPAC name of 3-(3-fluorophenyl)-5,5,6,6-tetramethyl-1,3-diazinane-2,4-dione (CID 65261333) is 3-(3-fluorophenyl)-5,5,6,6-tetramethyl-1,3-diazinane-2,4-dione.
What is the SMILES notation for 3-(3-fluorophenyl)-5,5,6,6-tetramethyl-1,3-diazinane-2,4-dione?
The canonical SMILES for 3-(3-fluorophenyl)-5,5,6,6-tetramethyl-1,3-diazinane-2,4-dione is CC1(C)NC(=O)N(c2cccc(F)c2)C(=O)C1(C)C.
What is the InChIKey of 3-(3-fluorophenyl)-5,5,6,6-tetramethyl-1,3-diazinane-2,4-dione?
The InChIKey is SJWCSJZFBBNEIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2O2/c1-13(2)11(18)17(12(19)16-14(13,3)4)10-7-5-6-9(15)8-10/h5-8H,1-4H3,(H,16,19).
What are the key properties of 3-(3-fluorophenyl)-5,5,6,6-tetramethyl-1,3-diazinane-2,4-dione?
3-(3-fluorophenyl)-5,5,6,6-tetramethyl-1,3-diazinane-2,4-dione has a molecular weight of 264.30 g/mol, XLogP of 2.69, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluorophenyl)-5,5,6,6-tetramethyl-1,3-diazinane-2,4-dione is sourced from PubChem (CID 65261333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).