[1-carbamoyloxy-1-(2,4-difluorophenyl)propan-2-yl] carbamate

C11H12F2N2O4 — CID 123475451

IUPAC[1-carbamoyloxy-1-(2,4-difluorophenyl)propan-2-yl] carbamate
SMILESCC(OC(N)=O)C(OC(N)=O)c1ccc(F)cc1F
InChIInChI=1S/C11H12F2N2O4/c1-5(18-10(14)16)9(19-11(15)17)7-3-2-6(12)4-8(7)13/h2-5,9H,1H3,(H2,14,16)(H2,15,17)
InChIKeyWXPFFELONAYIMT-UHFFFAOYSA-N
MW274.22 g/mol
LogP1.59
Rot. Bonds4

About [1-carbamoyloxy-1-(2,4-difluorophenyl)propan-2-yl] carbamate

[1-carbamoyloxy-1-(2,4-difluorophenyl)propan-2-yl] carbamate (PubChem CID 123475451) has the molecular formula C11H12F2N2O4 and a molecular weight of 274.22 g/mol. Its IUPAC name is [1-carbamoyloxy-1-(2,4-difluorophenyl)propan-2-yl] carbamate.

Molecular Properties

Compound Name[1-carbamoyloxy-1-(2,4-difluorophenyl)propan-2-yl] carbamate
PubChem CID123475451
Molecular FormulaC11H12F2N2O4
Molecular Weight274.22 g/mol
Exact Mass274.08
IUPAC Name[1-carbamoyloxy-1-(2,4-difluorophenyl)propan-2-yl] carbamate
SMILESCC(OC(N)=O)C(OC(N)=O)c1ccc(F)cc1F
InChIInChI=1S/C11H12F2N2O4/c1-5(18-10(14)16)9(19-11(15)17)7-3-2-6(12)4-8(7)13/h2-5,9H,1H3,(H2,14,16)(H2,15,17)
InChIKeyWXPFFELONAYIMT-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

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Related Compounds

[1-carbamoyloxy-1-(2,6-difluorophenyl)propan-2-yl] carbamate
CID 123975070
[(2S)-1,1-bis(2,4-difluorophenyl)propan-2-yl] (2S)-2-aminopropanoate
CID 121463605
1-(2,4-difluorophenyl)ethyl acetate
CID 141098399
[(2S)-1-amino-1-oxopropan-2-yl]-[(1S)-1-(2,4-difluorophenyl)ethyl]azanium
CID 8688014
2-(2,4-difluorophenyl)propanoyl chloride
CID 117047610
3-(2,4-difluorophenyl)-2-methylbutanoic acid
CID 79729834
3-(2,4-difluorophenyl)-3-hydroxypropanamide
CID 69415011
methyl 2-(2,4-difluorophenyl)-2-(methylamino)acetate
CID 60787900
[(1S)-1-(2,4-difluorophenyl)ethyl]azanium chloride
CID 89251980
(1S)-1-(2,4-difluorophenyl)-1-hydroxypropan-2-one
CID 101087572
methyl (3S)-3-amino-3-(2,4-difluorophenyl)-2,2-dimethylpropanoate;hydrochloride
CID 171239168
ethyl N-[1-(2,4-difluorophenyl)ethyl]carbamate
CID 60638339

Frequently Asked Questions

What is the IUPAC name of [1-carbamoyloxy-1-(2,4-difluorophenyl)propan-2-yl] carbamate?
The IUPAC name of [1-carbamoyloxy-1-(2,4-difluorophenyl)propan-2-yl] carbamate (CID 123475451) is [1-carbamoyloxy-1-(2,4-difluorophenyl)propan-2-yl] carbamate.
What is the SMILES notation for [1-carbamoyloxy-1-(2,4-difluorophenyl)propan-2-yl] carbamate?
The canonical SMILES for [1-carbamoyloxy-1-(2,4-difluorophenyl)propan-2-yl] carbamate is CC(OC(N)=O)C(OC(N)=O)c1ccc(F)cc1F.
What is the InChIKey of [1-carbamoyloxy-1-(2,4-difluorophenyl)propan-2-yl] carbamate?
The InChIKey is WXPFFELONAYIMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F2N2O4/c1-5(18-10(14)16)9(19-11(15)17)7-3-2-6(12)4-8(7)13/h2-5,9H,1H3,(H2,14,16)(H2,15,17).
What are the key properties of [1-carbamoyloxy-1-(2,4-difluorophenyl)propan-2-yl] carbamate?
[1-carbamoyloxy-1-(2,4-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-(2,4-difluorophenyl)propan-2-yl] carbamate is sourced from PubChem (CID 123475451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).