(1,3,4,4,5,5,6,6-octafluorocyclohex-2-en-1-yl) 2-methylprop-2-enoate

C10H6F8O2 — CID 153278148

IUPAC(1,3,4,4,5,5,6,6-octafluorocyclohex-2-en-1-yl) 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC1(F)C=C(F)C(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C10H6F8O2/c1-4(2)6(19)20-7(12)3-5(11)8(13,14)10(17,18)9(7,15)16/h3H,1H2,2H3
InChIKeyCZLMYSPSVQZMEQ-UHFFFAOYSA-N
MW310.14 g/mol
LogP3.54
Rot. Bonds2

About (1,3,4,4,5,5,6,6-octafluorocyclohex-2-en-1-yl) 2-methylprop-2-enoate

(1,3,4,4,5,5,6,6-octafluorocyclohex-2-en-1-yl) 2-methylprop-2-enoate (PubChem CID 153278148) has the molecular formula C10H6F8O2 and a molecular weight of 310.14 g/mol. Its IUPAC name is (1,3,4,4,5,5,6,6-octafluorocyclohex-2-en-1-yl) 2-methylprop-2-enoate.

Molecular Properties

Compound Name(1,3,4,4,5,5,6,6-octafluorocyclohex-2-en-1-yl) 2-methylprop-2-enoate
PubChem CID153278148
Molecular FormulaC10H6F8O2
Molecular Weight310.14 g/mol
Exact Mass310.02
IUPAC Name(1,3,4,4,5,5,6,6-octafluorocyclohex-2-en-1-yl) 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC1(F)C=C(F)C(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C10H6F8O2/c1-4(2)6(19)20-7(12)3-5(11)8(13,14)10(17,18)9(7,15)16/h3H,1H2,2H3
InChIKeyCZLMYSPSVQZMEQ-UHFFFAOYSA-N
XLogP3.54
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.14
LogP ≤ 53.54
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 (1,3,4,4,5,5,6,6-octafluorocyclohex-2-en-1-yl) 2-methylprop-2-enoate?
The IUPAC name of (1,3,4,4,5,5,6,6-octafluorocyclohex-2-en-1-yl) 2-methylprop-2-enoate (CID 153278148) is (1,3,4,4,5,5,6,6-octafluorocyclohex-2-en-1-yl) 2-methylprop-2-enoate.
What is the SMILES notation for (1,3,4,4,5,5,6,6-octafluorocyclohex-2-en-1-yl) 2-methylprop-2-enoate?
The canonical SMILES for (1,3,4,4,5,5,6,6-octafluorocyclohex-2-en-1-yl) 2-methylprop-2-enoate is C=C(C)C(=O)OC1(F)C=C(F)C(F)(F)C(F)(F)C1(F)F.
What is the InChIKey of (1,3,4,4,5,5,6,6-octafluorocyclohex-2-en-1-yl) 2-methylprop-2-enoate?
The InChIKey is CZLMYSPSVQZMEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6F8O2/c1-4(2)6(19)20-7(12)3-5(11)8(13,14)10(17,18)9(7,15)16/h3H,1H2,2H3.
What are the key properties of (1,3,4,4,5,5,6,6-octafluorocyclohex-2-en-1-yl) 2-methylprop-2-enoate?
(1,3,4,4,5,5,6,6-octafluorocyclohex-2-en-1-yl) 2-methylprop-2-enoate has a molecular weight of 310.14 g/mol, XLogP of 3.54, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1,3,4,4,5,5,6,6-octafluorocyclohex-2-en-1-yl) 2-methylprop-2-enoate is sourced from PubChem (CID 153278148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).