[1-carbamoyloxy-1-(2,6-difluorophenyl)propan-2-yl] carbamate

C11H12F2N2O4 — CID 123975070

IUPAC[1-carbamoyloxy-1-(2,6-difluorophenyl)propan-2-yl] carbamate
SMILESCC(OC(N)=O)C(OC(N)=O)c1c(F)cccc1F
InChIInChI=1S/C11H12F2N2O4/c1-5(18-10(14)16)9(19-11(15)17)8-6(12)3-2-4-7(8)13/h2-5,9H,1H3,(H2,14,16)(H2,15,17)
InChIKeyBDRDJDMLPUVWPQ-UHFFFAOYSA-N
MW274.22 g/mol
LogP1.59
Rot. Bonds4

About [1-carbamoyloxy-1-(2,6-difluorophenyl)propan-2-yl] carbamate

[1-carbamoyloxy-1-(2,6-difluorophenyl)propan-2-yl] carbamate (PubChem CID 123975070) has the molecular formula C11H12F2N2O4 and a molecular weight of 274.22 g/mol. Its IUPAC name is [1-carbamoyloxy-1-(2,6-difluorophenyl)propan-2-yl] carbamate.

Molecular Properties

Compound Name[1-carbamoyloxy-1-(2,6-difluorophenyl)propan-2-yl] carbamate
PubChem CID123975070
Molecular FormulaC11H12F2N2O4
Molecular Weight274.22 g/mol
Exact Mass274.08
IUPAC Name[1-carbamoyloxy-1-(2,6-difluorophenyl)propan-2-yl] carbamate
SMILESCC(OC(N)=O)C(OC(N)=O)c1c(F)cccc1F
InChIInChI=1S/C11H12F2N2O4/c1-5(18-10(14)16)9(19-11(15)17)8-6(12)3-2-4-7(8)13/h2-5,9H,1H3,(H2,14,16)(H2,15,17)
InChIKeyBDRDJDMLPUVWPQ-UHFFFAOYSA-N
XLogP1.59
TPSA104.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.22
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze [1-carbamoyloxy-1-(2,6-difluorophenyl)propan-2-yl] carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Carfimate
CID 19111
Benzyl carbamate
CID 12136
Carbamic acid, (alpha-ethylbenzyl) ester
CID 52366
1-Phenylprop-2-en-1-yl hydrogen carbonimidate
CID 3056714
Benzyl (acetyloxy)carbamate
CID 10954788
2,6-Difluoro-alpha-methylbenzyl alcohol, acetate
CID 91716791
1,3-Dioxolane-4-methanol, 2-methyl-2-phenyl-, carbamate
CID 37271
2-Propanol, 1-benzyloxy-3-(2-propynyloxy)-, carbamate
CID 203548
1-(4-Fluorophenyl)ethane-1,2-diyl diacetate
CID 15486591
[Difluoro-(2,3,4-trifluorophenyl)methyl] carbamate
CID 68145732
benzyl N-carbamoyloxycarbamate
CID 138393387
[(2S)-2-acetyloxy-2-(4-fluorophenyl)ethyl] acetate
CID 132579965

Frequently Asked Questions

What is the IUPAC name of [1-carbamoyloxy-1-(2,6-difluorophenyl)propan-2-yl] carbamate?
The IUPAC name of [1-carbamoyloxy-1-(2,6-difluorophenyl)propan-2-yl] carbamate (CID 123975070) is [1-carbamoyloxy-1-(2,6-difluorophenyl)propan-2-yl] carbamate.
What is the SMILES notation for [1-carbamoyloxy-1-(2,6-difluorophenyl)propan-2-yl] carbamate?
The canonical SMILES for [1-carbamoyloxy-1-(2,6-difluorophenyl)propan-2-yl] carbamate is CC(OC(N)=O)C(OC(N)=O)c1c(F)cccc1F.
What is the InChIKey of [1-carbamoyloxy-1-(2,6-difluorophenyl)propan-2-yl] carbamate?
The InChIKey is BDRDJDMLPUVWPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F2N2O4/c1-5(18-10(14)16)9(19-11(15)17)8-6(12)3-2-4-7(8)13/h2-5,9H,1H3,(H2,14,16)(H2,15,17).
What are the key properties of [1-carbamoyloxy-1-(2,6-difluorophenyl)propan-2-yl] carbamate?
[1-carbamoyloxy-1-(2,6-difluorophenyl)propan-2-yl] carbamate has a molecular weight of 274.22 g/mol, XLogP of 1.59, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-carbamoyloxy-1-(2,6-difluorophenyl)propan-2-yl] carbamate is sourced from PubChem (CID 123975070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).