(1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexyl)methyl 2-methylprop-2-enoate

C11H7F11O2 — CID 2776050

IUPAC(1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexyl)methyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCC1(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C11H7F11O2/c1-4(2)5(23)24-3-6(12)7(13,14)9(17,18)11(21,22)10(19,20)8(6,15)16/h1,3H2,2H3
InChIKeyDZZAHYHMWKNGLC-UHFFFAOYSA-N
MW380.15 g/mol
LogP4.00
Rot. Bonds3

About (1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexyl)methyl 2-methylprop-2-enoate

(1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexyl)methyl 2-methylprop-2-enoate (PubChem CID 2776050) has the molecular formula C11H7F11O2 and a molecular weight of 380.15 g/mol. Its IUPAC name is (1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexyl)methyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name(1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexyl)methyl 2-methylprop-2-enoate
PubChem CID2776050
Molecular FormulaC11H7F11O2
Molecular Weight380.15 g/mol
Exact Mass380.03
IUPAC Name(1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexyl)methyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCC1(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C11H7F11O2/c1-4(2)5(23)24-3-6(12)7(13,14)9(17,18)11(21,22)10(19,20)8(6,15)16/h1,3H2,2H3
InChIKeyDZZAHYHMWKNGLC-UHFFFAOYSA-N
XLogP4.00
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.15
LogP ≤ 54.00
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 (1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexyl)methyl 2-methylprop-2-enoate?
The IUPAC name of (1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexyl)methyl 2-methylprop-2-enoate (CID 2776050) is (1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexyl)methyl 2-methylprop-2-enoate.
What is the SMILES notation for (1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexyl)methyl 2-methylprop-2-enoate?
The canonical SMILES for (1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexyl)methyl 2-methylprop-2-enoate is C=C(C)C(=O)OCC1(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C1(F)F.
What is the InChIKey of (1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexyl)methyl 2-methylprop-2-enoate?
The InChIKey is DZZAHYHMWKNGLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7F11O2/c1-4(2)5(23)24-3-6(12)7(13,14)9(17,18)11(21,22)10(19,20)8(6,15)16/h1,3H2,2H3.
What are the key properties of (1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexyl)methyl 2-methylprop-2-enoate?
(1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexyl)methyl 2-methylprop-2-enoate has a molecular weight of 380.15 g/mol, XLogP of 4.00, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexyl)methyl 2-methylprop-2-enoate is sourced from PubChem (CID 2776050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).