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

C11H8F10O2 — CID 22620649

IUPAC(2,2,3,3,4,4,5,5,6,6-decafluorocyclohexyl)methyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCC1C(F)(F)C(F)(F)C(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C11H8F10O2/c1-4(2)6(22)23-3-5-7(12,13)9(16,17)11(20,21)10(18,19)8(5,14)15/h5H,1,3H2,2H3
InChIKeyRYXXDBBOFQIZFW-UHFFFAOYSA-N
MW362.16 g/mol
LogP3.91
Rot. Bonds3

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

(2,2,3,3,4,4,5,5,6,6-decafluorocyclohexyl)methyl 2-methylprop-2-enoate (PubChem CID 22620649) has the molecular formula C11H8F10O2 and a molecular weight of 362.16 g/mol. Its IUPAC name is (2,2,3,3,4,4,5,5,6,6-decafluorocyclohexyl)methyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name(2,2,3,3,4,4,5,5,6,6-decafluorocyclohexyl)methyl 2-methylprop-2-enoate
PubChem CID22620649
Molecular FormulaC11H8F10O2
Molecular Weight362.16 g/mol
Exact Mass362.04
IUPAC Name(2,2,3,3,4,4,5,5,6,6-decafluorocyclohexyl)methyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCC1C(F)(F)C(F)(F)C(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C11H8F10O2/c1-4(2)6(22)23-3-5-7(12,13)9(16,17)11(20,21)10(18,19)8(5,14)15/h5H,1,3H2,2H3
InChIKeyRYXXDBBOFQIZFW-UHFFFAOYSA-N
XLogP3.91
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.16
LogP ≤ 53.91
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 (2,2,3,3,4,4,5,5,6,6-decafluorocyclohexyl)methyl 2-methylprop-2-enoate?
The IUPAC name of (2,2,3,3,4,4,5,5,6,6-decafluorocyclohexyl)methyl 2-methylprop-2-enoate (CID 22620649) is (2,2,3,3,4,4,5,5,6,6-decafluorocyclohexyl)methyl 2-methylprop-2-enoate.
What is the SMILES notation for (2,2,3,3,4,4,5,5,6,6-decafluorocyclohexyl)methyl 2-methylprop-2-enoate?
The canonical SMILES for (2,2,3,3,4,4,5,5,6,6-decafluorocyclohexyl)methyl 2-methylprop-2-enoate is C=C(C)C(=O)OCC1C(F)(F)C(F)(F)C(F)(F)C(F)(F)C1(F)F.
What is the InChIKey of (2,2,3,3,4,4,5,5,6,6-decafluorocyclohexyl)methyl 2-methylprop-2-enoate?
The InChIKey is RYXXDBBOFQIZFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F10O2/c1-4(2)6(22)23-3-5-7(12,13)9(16,17)11(20,21)10(18,19)8(5,14)15/h5H,1,3H2,2H3.
What are the key properties of (2,2,3,3,4,4,5,5,6,6-decafluorocyclohexyl)methyl 2-methylprop-2-enoate?
(2,2,3,3,4,4,5,5,6,6-decafluorocyclohexyl)methyl 2-methylprop-2-enoate has a molecular weight of 362.16 g/mol, XLogP of 3.91, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2,3,3,4,4,5,5,6,6-decafluorocyclohexyl)methyl 2-methylprop-2-enoate is sourced from PubChem (CID 22620649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).