methyl 2-[[2,4-bis(difluoromethoxy)phenyl]methylamino]acetate

C12H13F4NO4 — CID 43503462

IUPACmethyl 2-[[2,4-bis(difluoromethoxy)phenyl]methylamino]acetate
SMILESCOC(=O)CNCc1ccc(OC(F)F)cc1OC(F)F
InChIInChI=1S/C12H13F4NO4/c1-19-10(18)6-17-5-7-2-3-8(20-11(13)14)4-9(7)21-12(15)16/h2-4,11-12,17H,5-6H2,1H3
InChIKeyDWOFQCYHESLIRS-UHFFFAOYSA-N
MW311.23 g/mol
LogP2.15
Rot. Bonds8

About methyl 2-[[2,4-bis(difluoromethoxy)phenyl]methylamino]acetate

methyl 2-[[2,4-bis(difluoromethoxy)phenyl]methylamino]acetate (PubChem CID 43503462) has the molecular formula C12H13F4NO4 and a molecular weight of 311.23 g/mol. Its IUPAC name is methyl 2-[[2,4-bis(difluoromethoxy)phenyl]methylamino]acetate.

Molecular Properties

Compound Namemethyl 2-[[2,4-bis(difluoromethoxy)phenyl]methylamino]acetate
PubChem CID43503462
Molecular FormulaC12H13F4NO4
Molecular Weight311.23 g/mol
Exact Mass311.08
IUPAC Namemethyl 2-[[2,4-bis(difluoromethoxy)phenyl]methylamino]acetate
SMILESCOC(=O)CNCc1ccc(OC(F)F)cc1OC(F)F
InChIInChI=1S/C12H13F4NO4/c1-19-10(18)6-17-5-7-2-3-8(20-11(13)14)4-9(7)21-12(15)16/h2-4,11-12,17H,5-6H2,1H3
InChIKeyDWOFQCYHESLIRS-UHFFFAOYSA-N
XLogP2.15
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.23
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[[2,4-bis(difluoromethoxy)phenyl]methylamino]-2-methylpropan-2-ol
CID 63932490
N-[[2,4-bis(difluoromethoxy)phenyl]methyl]-2-methylsulfanylethanamine
CID 60658322
2-[[2,4-bis(difluoromethoxy)phenyl]methylamino]propanamide
CID 43402355
1-[2,4-bis(difluoromethoxy)phenyl]-N-[(1-methylcyclopropyl)methyl]methanamine
CID 103724428
1-[2-(difluoromethoxy)-4-methoxyphenyl]-N-methylmethanamine
CID 61270001
(2S)-2-[[2,4-bis(difluoromethoxy)phenyl]methylamino]butan-1-ol
CID 104980379
methyl 2-[[2,4-di(docosoxy)phenyl]methylamino]acetate
CID 71604456
N-[[2,4-bis(difluoromethoxy)phenyl]methyl]but-3-yn-2-amine
CID 114414934
methyl 3-[4-(difluoromethoxy)-2-hydroxyphenyl]propanoate
CID 134634678
N-[[2,4-bis(difluoromethoxy)phenyl]methyl]-1-cyclopropylethanamine
CID 43400195
methyl 2-[(2,3,4-trimethylphenyl)methylamino]acetate
CID 115232918
2-[(2,4-dimethoxyphenyl)methylamino]acetic acid
CID 11042399

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2,4-bis(difluoromethoxy)phenyl]methylamino]acetate?
The IUPAC name of methyl 2-[[2,4-bis(difluoromethoxy)phenyl]methylamino]acetate (CID 43503462) is methyl 2-[[2,4-bis(difluoromethoxy)phenyl]methylamino]acetate.
What is the SMILES notation for methyl 2-[[2,4-bis(difluoromethoxy)phenyl]methylamino]acetate?
The canonical SMILES for methyl 2-[[2,4-bis(difluoromethoxy)phenyl]methylamino]acetate is COC(=O)CNCc1ccc(OC(F)F)cc1OC(F)F.
What is the InChIKey of methyl 2-[[2,4-bis(difluoromethoxy)phenyl]methylamino]acetate?
The InChIKey is DWOFQCYHESLIRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F4NO4/c1-19-10(18)6-17-5-7-2-3-8(20-11(13)14)4-9(7)21-12(15)16/h2-4,11-12,17H,5-6H2,1H3.
What are the key properties of methyl 2-[[2,4-bis(difluoromethoxy)phenyl]methylamino]acetate?
methyl 2-[[2,4-bis(difluoromethoxy)phenyl]methylamino]acetate has a molecular weight of 311.23 g/mol, XLogP of 2.15, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[2,4-bis(difluoromethoxy)phenyl]methylamino]acetate is sourced from PubChem (CID 43503462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).