methyl 3-(2,2-difluoroethylamino)propanoate

C6H11F2NO2 — CID 60922397

IUPACmethyl 3-(2,2-difluoroethylamino)propanoate
SMILESCOC(=O)CCNCC(F)F
InChIInChI=1S/C6H11F2NO2/c1-11-6(10)2-3-9-4-5(7)8/h5,9H,2-4H2,1H3
InChIKeyBIDQIFHYIZSDPQ-UHFFFAOYSA-N
MW167.16 g/mol
LogP0.40
Rot. Bonds5

About methyl 3-(2,2-difluoroethylamino)propanoate

methyl 3-(2,2-difluoroethylamino)propanoate (PubChem CID 60922397) has the molecular formula C6H11F2NO2 and a molecular weight of 167.16 g/mol. Its IUPAC name is methyl 3-(2,2-difluoroethylamino)propanoate.

Molecular Properties

Compound Namemethyl 3-(2,2-difluoroethylamino)propanoate
PubChem CID60922397
Molecular FormulaC6H11F2NO2
Molecular Weight167.16 g/mol
Exact Mass167.08
IUPAC Namemethyl 3-(2,2-difluoroethylamino)propanoate
SMILESCOC(=O)CCNCC(F)F
InChIInChI=1S/C6H11F2NO2/c1-11-6(10)2-3-9-4-5(7)8/h5,9H,2-4H2,1H3
InChIKeyBIDQIFHYIZSDPQ-UHFFFAOYSA-N
XLogP0.40
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.16
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl 3-(2,2-difluoroethylamino)propanoate?
The IUPAC name of methyl 3-(2,2-difluoroethylamino)propanoate (CID 60922397) is methyl 3-(2,2-difluoroethylamino)propanoate.
What is the SMILES notation for methyl 3-(2,2-difluoroethylamino)propanoate?
The canonical SMILES for methyl 3-(2,2-difluoroethylamino)propanoate is COC(=O)CCNCC(F)F.
What is the InChIKey of methyl 3-(2,2-difluoroethylamino)propanoate?
The InChIKey is BIDQIFHYIZSDPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11F2NO2/c1-11-6(10)2-3-9-4-5(7)8/h5,9H,2-4H2,1H3.
What are the key properties of methyl 3-(2,2-difluoroethylamino)propanoate?
methyl 3-(2,2-difluoroethylamino)propanoate has a molecular weight of 167.16 g/mol, XLogP of 0.40, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(2,2-difluoroethylamino)propanoate is sourced from PubChem (CID 60922397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).