1,1,2,2,3,3,3-heptafluoropropyl 2-methylprop-2-enoate

C7H5F7O2 — CID 18697467

IUPAC1,1,2,2,3,3,3-heptafluoropropyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C7H5F7O2/c1-3(2)4(15)16-7(13,14)5(8,9)6(10,11)12/h1H2,2H3
InChIKeyYDQWGDXDFMSKFS-UHFFFAOYSA-N
MW254.10 g/mol
LogP2.90
Rot. Bonds3

About 1,1,2,2,3,3,3-heptafluoropropyl 2-methylprop-2-enoate

1,1,2,2,3,3,3-heptafluoropropyl 2-methylprop-2-enoate (PubChem CID 18697467) has the molecular formula C7H5F7O2 and a molecular weight of 254.10 g/mol. Its IUPAC name is 1,1,2,2,3,3,3-heptafluoropropyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name1,1,2,2,3,3,3-heptafluoropropyl 2-methylprop-2-enoate
PubChem CID18697467
Molecular FormulaC7H5F7O2
Molecular Weight254.10 g/mol
Exact Mass254.02
IUPAC Name1,1,2,2,3,3,3-heptafluoropropyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C7H5F7O2/c1-3(2)4(15)16-7(13,14)5(8,9)6(10,11)12/h1H2,2H3
InChIKeyYDQWGDXDFMSKFS-UHFFFAOYSA-N
XLogP2.90
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.10
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'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 1,1,2,2,3,3,3-heptafluoropropyl 2-methylprop-2-enoate?
The IUPAC name of 1,1,2,2,3,3,3-heptafluoropropyl 2-methylprop-2-enoate (CID 18697467) is 1,1,2,2,3,3,3-heptafluoropropyl 2-methylprop-2-enoate.
What is the SMILES notation for 1,1,2,2,3,3,3-heptafluoropropyl 2-methylprop-2-enoate?
The canonical SMILES for 1,1,2,2,3,3,3-heptafluoropropyl 2-methylprop-2-enoate is C=C(C)C(=O)OC(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 1,1,2,2,3,3,3-heptafluoropropyl 2-methylprop-2-enoate?
The InChIKey is YDQWGDXDFMSKFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5F7O2/c1-3(2)4(15)16-7(13,14)5(8,9)6(10,11)12/h1H2,2H3.
What are the key properties of 1,1,2,2,3,3,3-heptafluoropropyl 2-methylprop-2-enoate?
1,1,2,2,3,3,3-heptafluoropropyl 2-methylprop-2-enoate has a molecular weight of 254.10 g/mol, XLogP of 2.90, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,2,3,3,3-heptafluoropropyl 2-methylprop-2-enoate is sourced from PubChem (CID 18697467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).