2-(1,1,1,3,3,3-hexafluoropropan-2-yloxycarbonylamino)ethyl 2-methylprop-2-enoate

C10H11F6NO4 — CID 2775013

IUPAC2-(1,1,1,3,3,3-hexafluoropropan-2-yloxycarbonylamino)ethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCNC(=O)OC(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C10H11F6NO4/c1-5(2)6(18)20-4-3-17-8(19)21-7(9(11,12)13)10(14,15)16/h7H,1,3-4H2,2H3,(H,17,19)
InChIKeyOPAIYWVSKJDTBK-UHFFFAOYSA-N
MW323.19 g/mol
LogP2.33
Rot. Bonds5

About 2-(1,1,1,3,3,3-hexafluoropropan-2-yloxycarbonylamino)ethyl 2-methylprop-2-enoate

2-(1,1,1,3,3,3-hexafluoropropan-2-yloxycarbonylamino)ethyl 2-methylprop-2-enoate (PubChem CID 2775013) has the molecular formula C10H11F6NO4 and a molecular weight of 323.19 g/mol. Its IUPAC name is 2-(1,1,1,3,3,3-hexafluoropropan-2-yloxycarbonylamino)ethyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name2-(1,1,1,3,3,3-hexafluoropropan-2-yloxycarbonylamino)ethyl 2-methylprop-2-enoate
PubChem CID2775013
Molecular FormulaC10H11F6NO4
Molecular Weight323.19 g/mol
Exact Mass323.06
IUPAC Name2-(1,1,1,3,3,3-hexafluoropropan-2-yloxycarbonylamino)ethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCNC(=O)OC(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C10H11F6NO4/c1-5(2)6(18)20-4-3-17-8(19)21-7(9(11,12)13)10(14,15)16/h7H,1,3-4H2,2H3,(H,17,19)
InChIKeyOPAIYWVSKJDTBK-UHFFFAOYSA-N
XLogP2.33
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.19
LogP ≤ 52.33
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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Related Compounds

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2-(3,3,4,4,5,5,6,6,7,7,8,8,8-Tridecafluorooctoxycarbonylamino)ethyl 2-methylprop-2-enoate
CID 13668201
2-(2,2,2-Trifluoroethoxycarbonylamino)ethyl 2-methylprop-2-enoate
CID 13668204
2-(2,2,3,4,4,4-Hexafluorobutoxycarbonylamino)ethyl 2-methylprop-2-enoate
CID 15724801
1-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-Nonadecafluorodecoxycarbonylamino)propan-2-yl 2-methylprop-2-enoate
CID 20075309
2-(3,3,4,4,5,5,6,6,6-Nonafluorohexoxycarbonylamino)ethyl 2-methylprop-2-enoate
CID 21299958
2-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-Heptadecafluorooctoxycarbonylamino)ethyl 2-methylprop-2-enoate
CID 23324463
2-[[1-Ethoxy-3-(fluoromethoxy)propan-2-yl]oxycarbonylamino]ethyl 2-methylprop-2-enoate
CID 57902252
2-[[1-(Fluoromethoxy)-3-methoxypropan-2-yl]oxycarbonylamino]ethyl 2-methylprop-2-enoate
CID 57957201

Frequently Asked Questions

What is the IUPAC name of 2-(1,1,1,3,3,3-hexafluoropropan-2-yloxycarbonylamino)ethyl 2-methylprop-2-enoate?
The IUPAC name of 2-(1,1,1,3,3,3-hexafluoropropan-2-yloxycarbonylamino)ethyl 2-methylprop-2-enoate (CID 2775013) is 2-(1,1,1,3,3,3-hexafluoropropan-2-yloxycarbonylamino)ethyl 2-methylprop-2-enoate.
What is the SMILES notation for 2-(1,1,1,3,3,3-hexafluoropropan-2-yloxycarbonylamino)ethyl 2-methylprop-2-enoate?
The canonical SMILES for 2-(1,1,1,3,3,3-hexafluoropropan-2-yloxycarbonylamino)ethyl 2-methylprop-2-enoate is C=C(C)C(=O)OCCNC(=O)OC(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 2-(1,1,1,3,3,3-hexafluoropropan-2-yloxycarbonylamino)ethyl 2-methylprop-2-enoate?
The InChIKey is OPAIYWVSKJDTBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F6NO4/c1-5(2)6(18)20-4-3-17-8(19)21-7(9(11,12)13)10(14,15)16/h7H,1,3-4H2,2H3,(H,17,19).
What are the key properties of 2-(1,1,1,3,3,3-hexafluoropropan-2-yloxycarbonylamino)ethyl 2-methylprop-2-enoate?
2-(1,1,1,3,3,3-hexafluoropropan-2-yloxycarbonylamino)ethyl 2-methylprop-2-enoate has a molecular weight of 323.19 g/mol, XLogP of 2.33, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1,1,3,3,3-hexafluoropropan-2-yloxycarbonylamino)ethyl 2-methylprop-2-enoate is sourced from PubChem (CID 2775013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).