2-(2,2-difluoropropoxycarbonylamino)ethyl 2-methylprop-2-enoate

C10H15F2NO4 — CID 89309603

IUPAC2-(2,2-difluoropropoxycarbonylamino)ethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCNC(=O)OCC(C)(F)F
InChIInChI=1S/C10H15F2NO4/c1-7(2)8(14)16-5-4-13-9(15)17-6-10(3,11)12/h1,4-6H2,2-3H3,(H,13,15)
InChIKeyWXOAZKJIYHJTEB-UHFFFAOYSA-N
MW251.23 g/mol
LogP1.49
Rot. Bonds6

About 2-(2,2-difluoropropoxycarbonylamino)ethyl 2-methylprop-2-enoate

2-(2,2-difluoropropoxycarbonylamino)ethyl 2-methylprop-2-enoate (PubChem CID 89309603) has the molecular formula C10H15F2NO4 and a molecular weight of 251.23 g/mol. Its IUPAC name is 2-(2,2-difluoropropoxycarbonylamino)ethyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name2-(2,2-difluoropropoxycarbonylamino)ethyl 2-methylprop-2-enoate
PubChem CID89309603
Molecular FormulaC10H15F2NO4
Molecular Weight251.23 g/mol
Exact Mass251.10
IUPAC Name2-(2,2-difluoropropoxycarbonylamino)ethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCNC(=O)OCC(C)(F)F
InChIInChI=1S/C10H15F2NO4/c1-7(2)8(14)16-5-4-13-9(15)17-6-10(3,11)12/h1,4-6H2,2-3H3,(H,13,15)
InChIKeyWXOAZKJIYHJTEB-UHFFFAOYSA-N
XLogP1.49
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.23
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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CID 91694700
2-(1,1,1,3,3,3-Hexafluoropropan-2-yloxycarbonylamino)ethyl 2-methylprop-2-enoate
CID 2775013
2-(3,3,4,4,5,5,6,6,7,7,8,8,8-Tridecafluorooctoxycarbonylamino)ethyl 2-methylprop-2-enoate
CID 13668201
2-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-Heptadecafluorodecoxycarbonylamino)ethyl 2-methylprop-2-enoate
CID 13668202
2-(2,2,2-Trifluoroethoxycarbonylamino)ethyl 2-methylprop-2-enoate
CID 13668204
2-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-Hexadecafluorononoxycarbonylamino)ethyl 2-methylprop-2-enoate
CID 13668205
2-(2,2,3,4,4,4-Hexafluorobutoxycarbonylamino)ethyl 2-methylprop-2-enoate
CID 15724801

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-difluoropropoxycarbonylamino)ethyl 2-methylprop-2-enoate?
The IUPAC name of 2-(2,2-difluoropropoxycarbonylamino)ethyl 2-methylprop-2-enoate (CID 89309603) is 2-(2,2-difluoropropoxycarbonylamino)ethyl 2-methylprop-2-enoate.
What is the SMILES notation for 2-(2,2-difluoropropoxycarbonylamino)ethyl 2-methylprop-2-enoate?
The canonical SMILES for 2-(2,2-difluoropropoxycarbonylamino)ethyl 2-methylprop-2-enoate is C=C(C)C(=O)OCCNC(=O)OCC(C)(F)F.
What is the InChIKey of 2-(2,2-difluoropropoxycarbonylamino)ethyl 2-methylprop-2-enoate?
The InChIKey is WXOAZKJIYHJTEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F2NO4/c1-7(2)8(14)16-5-4-13-9(15)17-6-10(3,11)12/h1,4-6H2,2-3H3,(H,13,15).
What are the key properties of 2-(2,2-difluoropropoxycarbonylamino)ethyl 2-methylprop-2-enoate?
2-(2,2-difluoropropoxycarbonylamino)ethyl 2-methylprop-2-enoate has a molecular weight of 251.23 g/mol, XLogP of 1.49, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-difluoropropoxycarbonylamino)ethyl 2-methylprop-2-enoate is sourced from PubChem (CID 89309603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).