ethyl N-[(3,4-difluorophenyl)methyl]-N-methylcarbamate

C11H13F2NO2 — CID 60729593

IUPACethyl N-[(3,4-difluorophenyl)methyl]-N-methylcarbamate
SMILESCCOC(=O)N(C)Cc1ccc(F)c(F)c1
InChIInChI=1S/C11H13F2NO2/c1-3-16-11(15)14(2)7-8-4-5-9(12)10(13)6-8/h4-6H,3,7H2,1-2H3
InChIKeyBPJDYLSWHAYWEI-UHFFFAOYSA-N
MW229.23 g/mol
LogP2.55
Rot. Bonds3

About ethyl N-[(3,4-difluorophenyl)methyl]-N-methylcarbamate

ethyl N-[(3,4-difluorophenyl)methyl]-N-methylcarbamate (PubChem CID 60729593) has the molecular formula C11H13F2NO2 and a molecular weight of 229.23 g/mol. Its IUPAC name is ethyl N-[(3,4-difluorophenyl)methyl]-N-methylcarbamate.

Molecular Properties

Compound Nameethyl N-[(3,4-difluorophenyl)methyl]-N-methylcarbamate
PubChem CID60729593
Molecular FormulaC11H13F2NO2
Molecular Weight229.23 g/mol
Exact Mass229.09
IUPAC Nameethyl N-[(3,4-difluorophenyl)methyl]-N-methylcarbamate
SMILESCCOC(=O)N(C)Cc1ccc(F)c(F)c1
InChIInChI=1S/C11H13F2NO2/c1-3-16-11(15)14(2)7-8-4-5-9(12)10(13)6-8/h4-6H,3,7H2,1-2H3
InChIKeyBPJDYLSWHAYWEI-UHFFFAOYSA-N
XLogP2.55
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.23
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

ethyl 3-[(3,4-difluorophenyl)methyl-methylamino]propanoate
CID 113221274
2-chloro-N-[(3,4-difluorophenyl)methyl]-N-methylacetamide
CID 60948624
2-(2-aminoethoxy)-N-[(3,4-difluorophenyl)methyl]-N-methylacetamide
CID 79473671
3-[(3,4-difluorophenyl)methyl-methylamino]-3-oxopropanoic acid
CID 62231927
ethyl N-methyl-N-[(3-methylphenyl)methyl]carbamate
CID 60755647
N-[(3,4-difluorophenyl)methyl]-3-hydroxy-N-methylpropanamide
CID 115139161
ethyl N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]carbamate
CID 60636161
ethyl N-[(2,4-difluorophenyl)methyl]-N-methylcarbamate
CID 60725198
1-cyano-N-[(3,4-difluorophenyl)methyl]-N-methylformamide
CID 115172325
ethyl N-[(3-methoxyphenyl)methyl]-N-methylcarbamate
CID 60636271
N-[(3,4-difluorophenyl)methyl]-N-methylbut-2-enamide
CID 112725264
1-amino-N-[(3,4-difluorophenyl)methyl]-N-methylcyclopropane-1-carboxamide;hydrochloride
CID 119717238

Frequently Asked Questions

What is the IUPAC name of ethyl N-[(3,4-difluorophenyl)methyl]-N-methylcarbamate?
The IUPAC name of ethyl N-[(3,4-difluorophenyl)methyl]-N-methylcarbamate (CID 60729593) is ethyl N-[(3,4-difluorophenyl)methyl]-N-methylcarbamate.
What is the SMILES notation for ethyl N-[(3,4-difluorophenyl)methyl]-N-methylcarbamate?
The canonical SMILES for ethyl N-[(3,4-difluorophenyl)methyl]-N-methylcarbamate is CCOC(=O)N(C)Cc1ccc(F)c(F)c1.
What is the InChIKey of ethyl N-[(3,4-difluorophenyl)methyl]-N-methylcarbamate?
The InChIKey is BPJDYLSWHAYWEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F2NO2/c1-3-16-11(15)14(2)7-8-4-5-9(12)10(13)6-8/h4-6H,3,7H2,1-2H3.
What are the key properties of ethyl N-[(3,4-difluorophenyl)methyl]-N-methylcarbamate?
ethyl N-[(3,4-difluorophenyl)methyl]-N-methylcarbamate has a molecular weight of 229.23 g/mol, XLogP of 2.55, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[(3,4-difluorophenyl)methyl]-N-methylcarbamate is sourced from PubChem (CID 60729593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).