(5S,6S)-5-fluoro-6-propan-2-yloxy-1,3-diazinane-2,4-dione

C7H11FN2O3 — CID 10241614

IUPAC(5S,6S)-5-fluoro-6-propan-2-yloxy-1,3-diazinane-2,4-dione
SMILESCC(C)O[C@@H]1NC(=O)NC(=O)[C@H]1F
InChIInChI=1S/C7H11FN2O3/c1-3(2)13-6-4(8)5(11)9-7(12)10-6/h3-4,6H,1-2H3,(H2,9,10,11,12)/t4-,6+/m1/s1
InChIKeyPQLBXSJNBCIQSW-XINAWCOVSA-N
MW190.17 g/mol
LogP-0.09
Rot. Bonds2

About (5S,6S)-5-fluoro-6-propan-2-yloxy-1,3-diazinane-2,4-dione

(5S,6S)-5-fluoro-6-propan-2-yloxy-1,3-diazinane-2,4-dione (PubChem CID 10241614) has the molecular formula C7H11FN2O3 and a molecular weight of 190.17 g/mol. Its IUPAC name is (5S,6S)-5-fluoro-6-propan-2-yloxy-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Name(5S,6S)-5-fluoro-6-propan-2-yloxy-1,3-diazinane-2,4-dione
PubChem CID10241614
Molecular FormulaC7H11FN2O3
Molecular Weight190.17 g/mol
Exact Mass190.08
IUPAC Name(5S,6S)-5-fluoro-6-propan-2-yloxy-1,3-diazinane-2,4-dione
SMILESCC(C)O[C@@H]1NC(=O)NC(=O)[C@H]1F
InChIInChI=1S/C7H11FN2O3/c1-3(2)13-6-4(8)5(11)9-7(12)10-6/h3-4,6H,1-2H3,(H2,9,10,11,12)/t4-,6+/m1/s1
InChIKeyPQLBXSJNBCIQSW-XINAWCOVSA-N
XLogP-0.09
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.17
LogP ≤ 5-0.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5S,6S)-5-fluoro-6-propan-2-yloxy-1,3-diazinane-2,4-dione?
The IUPAC name of (5S,6S)-5-fluoro-6-propan-2-yloxy-1,3-diazinane-2,4-dione (CID 10241614) is (5S,6S)-5-fluoro-6-propan-2-yloxy-1,3-diazinane-2,4-dione.
What is the SMILES notation for (5S,6S)-5-fluoro-6-propan-2-yloxy-1,3-diazinane-2,4-dione?
The canonical SMILES for (5S,6S)-5-fluoro-6-propan-2-yloxy-1,3-diazinane-2,4-dione is CC(C)O[C@@H]1NC(=O)NC(=O)[C@H]1F.
What is the InChIKey of (5S,6S)-5-fluoro-6-propan-2-yloxy-1,3-diazinane-2,4-dione?
The InChIKey is PQLBXSJNBCIQSW-XINAWCOVSA-N. The full InChI is InChI=1S/C7H11FN2O3/c1-3(2)13-6-4(8)5(11)9-7(12)10-6/h3-4,6H,1-2H3,(H2,9,10,11,12)/t4-,6+/m1/s1.
What are the key properties of (5S,6S)-5-fluoro-6-propan-2-yloxy-1,3-diazinane-2,4-dione?
(5S,6S)-5-fluoro-6-propan-2-yloxy-1,3-diazinane-2,4-dione has a molecular weight of 190.17 g/mol, XLogP of -0.09, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S,6S)-5-fluoro-6-propan-2-yloxy-1,3-diazinane-2,4-dione is sourced from PubChem (CID 10241614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).