2-(2,2,3,3,4,4,4-heptafluorobutanoylamino)ethyl 2-methylprop-2-enoate

C10H10F7NO3 — CID 91694700

IUPAC2-(2,2,3,3,4,4,4-heptafluorobutanoylamino)ethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCNC(=O)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C10H10F7NO3/c1-5(2)6(19)21-4-3-18-7(20)8(11,12)9(13,14)10(15,16)17/h1,3-4H2,2H3,(H,18,20)
InChIKeyVDGOHEAHOOZDMN-UHFFFAOYSA-N
MW325.18 g/mol
LogP2.05
Rot. Bonds6

About 2-(2,2,3,3,4,4,4-heptafluorobutanoylamino)ethyl 2-methylprop-2-enoate

2-(2,2,3,3,4,4,4-heptafluorobutanoylamino)ethyl 2-methylprop-2-enoate (PubChem CID 91694700) has the molecular formula C10H10F7NO3 and a molecular weight of 325.18 g/mol. Its IUPAC name is 2-(2,2,3,3,4,4,4-heptafluorobutanoylamino)ethyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name2-(2,2,3,3,4,4,4-heptafluorobutanoylamino)ethyl 2-methylprop-2-enoate
PubChem CID91694700
Molecular FormulaC10H10F7NO3
Molecular Weight325.18 g/mol
Exact Mass325.05
IUPAC Name2-(2,2,3,3,4,4,4-heptafluorobutanoylamino)ethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCNC(=O)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C10H10F7NO3/c1-5(2)6(19)21-4-3-18-7(20)8(11,12)9(13,14)10(15,16)17/h1,3-4H2,2H3,(H,18,20)
InChIKeyVDGOHEAHOOZDMN-UHFFFAOYSA-N
XLogP2.05
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.18
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2,2,3,3,4,4,4-heptafluorobutanoylamino)ethyl 2-methylprop-2-enoate?
The IUPAC name of 2-(2,2,3,3,4,4,4-heptafluorobutanoylamino)ethyl 2-methylprop-2-enoate (CID 91694700) is 2-(2,2,3,3,4,4,4-heptafluorobutanoylamino)ethyl 2-methylprop-2-enoate.
What is the SMILES notation for 2-(2,2,3,3,4,4,4-heptafluorobutanoylamino)ethyl 2-methylprop-2-enoate?
The canonical SMILES for 2-(2,2,3,3,4,4,4-heptafluorobutanoylamino)ethyl 2-methylprop-2-enoate is C=C(C)C(=O)OCCNC(=O)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 2-(2,2,3,3,4,4,4-heptafluorobutanoylamino)ethyl 2-methylprop-2-enoate?
The InChIKey is VDGOHEAHOOZDMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F7NO3/c1-5(2)6(19)21-4-3-18-7(20)8(11,12)9(13,14)10(15,16)17/h1,3-4H2,2H3,(H,18,20).
What are the key properties of 2-(2,2,3,3,4,4,4-heptafluorobutanoylamino)ethyl 2-methylprop-2-enoate?
2-(2,2,3,3,4,4,4-heptafluorobutanoylamino)ethyl 2-methylprop-2-enoate has a molecular weight of 325.18 g/mol, XLogP of 2.05, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2,3,3,4,4,4-heptafluorobutanoylamino)ethyl 2-methylprop-2-enoate is sourced from PubChem (CID 91694700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).