methyl N-[1-[2-(difluoromethoxy)phenyl]ethenylamino]carbamate

C11H12F2N2O3 — CID 2386816

IUPACmethyl N-[1-[2-(difluoromethoxy)phenyl]ethenylamino]carbamate
SMILESC=C(NNC(=O)OC)c1ccccc1OC(F)F
InChIInChI=1S/C11H12F2N2O3/c1-7(14-15-11(16)17-2)8-5-3-4-6-9(8)18-10(12)13/h3-6,10,14H,1H2,2H3,(H,15,16)
InChIKeyAWDRUHGERLFKGD-UHFFFAOYSA-N
MW258.22 g/mol
LogP2.12
Rot. Bonds5

About methyl N-[1-[2-(difluoromethoxy)phenyl]ethenylamino]carbamate

methyl N-[1-[2-(difluoromethoxy)phenyl]ethenylamino]carbamate (PubChem CID 2386816) has the molecular formula C11H12F2N2O3 and a molecular weight of 258.22 g/mol. Its IUPAC name is methyl N-[1-[2-(difluoromethoxy)phenyl]ethenylamino]carbamate.

Molecular Properties

Compound Namemethyl N-[1-[2-(difluoromethoxy)phenyl]ethenylamino]carbamate
PubChem CID2386816
Molecular FormulaC11H12F2N2O3
Molecular Weight258.22 g/mol
Exact Mass258.08
IUPAC Namemethyl N-[1-[2-(difluoromethoxy)phenyl]ethenylamino]carbamate
SMILESC=C(NNC(=O)OC)c1ccccc1OC(F)F
InChIInChI=1S/C11H12F2N2O3/c1-7(14-15-11(16)17-2)8-5-3-4-6-9(8)18-10(12)13/h3-6,10,14H,1H2,2H3,(H,15,16)
InChIKeyAWDRUHGERLFKGD-UHFFFAOYSA-N
XLogP2.12
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.22
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

methyl N-[1-[2,4-bis(difluoromethoxy)phenyl]ethenylamino]carbamate
CID 2389128
3-[[1-[2-(difluoromethoxy)phenyl]ethenylamino]carbamoyl]-N,N-diethylbenzenesulfonamide
CID 2401208
2-(difluoromethoxy)-N-methylbenzamide;ethane
CID 155585824
2-(difluoromethoxy)-N-ethylbenzamide
CID 60644731
3-[2-(difluoromethoxy)phenyl]-2-fluorobut-2-enoic acid
CID 79728817
3-[2-(difluoromethoxy)phenyl]but-2-enenitrile
CID 76915986
2-[2-(difluoromethoxy)benzoyl]propanedinitrile
CID 112732107
N-(2-amino-2-methylpropyl)-2-(difluoromethoxy)benzamide
CID 81482649
N-(1-cyanoethyl)-2-(difluoromethoxy)benzamide
CID 61121836
N-[(2S)-2-cyano-3-methylbutan-2-yl]-2-(difluoromethoxy)benzamide
CID 39963779
2-(difluoromethoxy)-N-propylbenzamide
CID 60654909
(4-methoxyphenyl) 2-(difluoromethoxy)benzoate
CID 55341813

Frequently Asked Questions

What is the IUPAC name of methyl N-[1-[2-(difluoromethoxy)phenyl]ethenylamino]carbamate?
The IUPAC name of methyl N-[1-[2-(difluoromethoxy)phenyl]ethenylamino]carbamate (CID 2386816) is methyl N-[1-[2-(difluoromethoxy)phenyl]ethenylamino]carbamate.
What is the SMILES notation for methyl N-[1-[2-(difluoromethoxy)phenyl]ethenylamino]carbamate?
The canonical SMILES for methyl N-[1-[2-(difluoromethoxy)phenyl]ethenylamino]carbamate is C=C(NNC(=O)OC)c1ccccc1OC(F)F.
What is the InChIKey of methyl N-[1-[2-(difluoromethoxy)phenyl]ethenylamino]carbamate?
The InChIKey is AWDRUHGERLFKGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F2N2O3/c1-7(14-15-11(16)17-2)8-5-3-4-6-9(8)18-10(12)13/h3-6,10,14H,1H2,2H3,(H,15,16).
What are the key properties of methyl N-[1-[2-(difluoromethoxy)phenyl]ethenylamino]carbamate?
methyl N-[1-[2-(difluoromethoxy)phenyl]ethenylamino]carbamate has a molecular weight of 258.22 g/mol, XLogP of 2.12, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[1-[2-(difluoromethoxy)phenyl]ethenylamino]carbamate is sourced from PubChem (CID 2386816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).