(3-carbamoyloxy-2-fluoro-2-phenylpropyl) carbamate

C11H13FN2O4 — CID 6918615

IUPAC(3-carbamoyloxy-2-fluoro-2-phenylpropyl) carbamate
SMILESNC(=O)OCC(F)(COC(N)=O)c1ccccc1
InChIInChI=1S/C11H13FN2O4/c12-11(6-17-9(13)15,7-18-10(14)16)8-4-2-1-3-5-8/h1-5H,6-7H2,(H2,13,15)(H2,14,16)
InChIKeyZCDHNOUTBZTCLP-UHFFFAOYSA-N
MW256.23 g/mol
LogP1.04
Rot. Bonds5

About (3-carbamoyloxy-2-fluoro-2-phenylpropyl) carbamate

(3-carbamoyloxy-2-fluoro-2-phenylpropyl) carbamate (PubChem CID 6918615) has the molecular formula C11H13FN2O4 and a molecular weight of 256.23 g/mol. Its IUPAC name is (3-carbamoyloxy-2-fluoro-2-phenylpropyl) carbamate.

Molecular Properties

Compound Name(3-carbamoyloxy-2-fluoro-2-phenylpropyl) carbamate
PubChem CID6918615
Molecular FormulaC11H13FN2O4
Molecular Weight256.23 g/mol
Exact Mass256.09
IUPAC Name(3-carbamoyloxy-2-fluoro-2-phenylpropyl) carbamate
SMILESNC(=O)OCC(F)(COC(N)=O)c1ccccc1
InChIInChI=1S/C11H13FN2O4/c12-11(6-17-9(13)15,7-18-10(14)16)8-4-2-1-3-5-8/h1-5H,6-7H2,(H2,13,15)(H2,14,16)
InChIKeyZCDHNOUTBZTCLP-UHFFFAOYSA-N
XLogP1.04
TPSA104.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.23
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3-carbamoyloxy-2-fluoro-2-phenylpropyl) carbamate?
The IUPAC name of (3-carbamoyloxy-2-fluoro-2-phenylpropyl) carbamate (CID 6918615) is (3-carbamoyloxy-2-fluoro-2-phenylpropyl) carbamate.
What is the SMILES notation for (3-carbamoyloxy-2-fluoro-2-phenylpropyl) carbamate?
The canonical SMILES for (3-carbamoyloxy-2-fluoro-2-phenylpropyl) carbamate is NC(=O)OCC(F)(COC(N)=O)c1ccccc1.
What is the InChIKey of (3-carbamoyloxy-2-fluoro-2-phenylpropyl) carbamate?
The InChIKey is ZCDHNOUTBZTCLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FN2O4/c12-11(6-17-9(13)15,7-18-10(14)16)8-4-2-1-3-5-8/h1-5H,6-7H2,(H2,13,15)(H2,14,16).
What are the key properties of (3-carbamoyloxy-2-fluoro-2-phenylpropyl) carbamate?
(3-carbamoyloxy-2-fluoro-2-phenylpropyl) carbamate has a molecular weight of 256.23 g/mol, XLogP of 1.04, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-carbamoyloxy-2-fluoro-2-phenylpropyl) carbamate is sourced from PubChem (CID 6918615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).