(5Z)-3-tert-butyl-5-(1,2,2,3,3,3-hexafluoropropylidene)-2-methyl-1-prop-1-en-2-ylcyclopenta-1,3-diene

C16H18F6 — CID 11727067

IUPAC(5Z)-3-tert-butyl-5-(1,2,2,3,3,3-hexafluoropropylidene)-2-methyl-1-prop-1-en-2-ylcyclopenta-1,3-diene
SMILESC=C(C)C1=C(C)C(C(C)(C)C)=C/C1=C(/F)C(F)(F)C(F)(F)F
InChIInChI=1S/C16H18F6/c1-8(2)12-9(3)11(14(4,5)6)7-10(12)13(17)15(18,19)16(20,21)22/h7H,1H2,2-6H3/b13-10-
InChIKeySDTSLQUJCMEXLD-RAXLEYEMSA-N
MW324.31 g/mol
LogP6.29
Rot. Bonds2

About (5Z)-3-tert-butyl-5-(1,2,2,3,3,3-hexafluoropropylidene)-2-methyl-1-prop-1-en-2-ylcyclopenta-1,3-diene

(5Z)-3-tert-butyl-5-(1,2,2,3,3,3-hexafluoropropylidene)-2-methyl-1-prop-1-en-2-ylcyclopenta-1,3-diene (PubChem CID 11727067) has the molecular formula C16H18F6 and a molecular weight of 324.31 g/mol. Its IUPAC name is (5Z)-3-tert-butyl-5-(1,2,2,3,3,3-hexafluoropropylidene)-2-methyl-1-prop-1-en-2-ylcyclopenta-1,3-diene.

Molecular Properties

Compound Name(5Z)-3-tert-butyl-5-(1,2,2,3,3,3-hexafluoropropylidene)-2-methyl-1-prop-1-en-2-ylcyclopenta-1,3-diene
PubChem CID11727067
Molecular FormulaC16H18F6
Molecular Weight324.31 g/mol
Exact Mass324.13
IUPAC Name(5Z)-3-tert-butyl-5-(1,2,2,3,3,3-hexafluoropropylidene)-2-methyl-1-prop-1-en-2-ylcyclopenta-1,3-diene
SMILESC=C(C)C1=C(C)C(C(C)(C)C)=C/C1=C(/F)C(F)(F)C(F)(F)F
InChIInChI=1S/C16H18F6/c1-8(2)12-9(3)11(14(4,5)6)7-10(12)13(17)15(18,19)16(20,21)22/h7H,1H2,2-6H3/b13-10-
InChIKeySDTSLQUJCMEXLD-RAXLEYEMSA-N
XLogP6.29
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.31
LogP ≤ 56.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5Z)-3-tert-butyl-5-(1,2,2,3,3,3-hexafluoropropylidene)-2-methyl-1-prop-1-en-2-ylcyclopenta-1,3-diene?
The IUPAC name of (5Z)-3-tert-butyl-5-(1,2,2,3,3,3-hexafluoropropylidene)-2-methyl-1-prop-1-en-2-ylcyclopenta-1,3-diene (CID 11727067) is (5Z)-3-tert-butyl-5-(1,2,2,3,3,3-hexafluoropropylidene)-2-methyl-1-prop-1-en-2-ylcyclopenta-1,3-diene.
What is the SMILES notation for (5Z)-3-tert-butyl-5-(1,2,2,3,3,3-hexafluoropropylidene)-2-methyl-1-prop-1-en-2-ylcyclopenta-1,3-diene?
The canonical SMILES for (5Z)-3-tert-butyl-5-(1,2,2,3,3,3-hexafluoropropylidene)-2-methyl-1-prop-1-en-2-ylcyclopenta-1,3-diene is C=C(C)C1=C(C)C(C(C)(C)C)=C/C1=C(/F)C(F)(F)C(F)(F)F.
What is the InChIKey of (5Z)-3-tert-butyl-5-(1,2,2,3,3,3-hexafluoropropylidene)-2-methyl-1-prop-1-en-2-ylcyclopenta-1,3-diene?
The InChIKey is SDTSLQUJCMEXLD-RAXLEYEMSA-N. The full InChI is InChI=1S/C16H18F6/c1-8(2)12-9(3)11(14(4,5)6)7-10(12)13(17)15(18,19)16(20,21)22/h7H,1H2,2-6H3/b13-10-.
What are the key properties of (5Z)-3-tert-butyl-5-(1,2,2,3,3,3-hexafluoropropylidene)-2-methyl-1-prop-1-en-2-ylcyclopenta-1,3-diene?
(5Z)-3-tert-butyl-5-(1,2,2,3,3,3-hexafluoropropylidene)-2-methyl-1-prop-1-en-2-ylcyclopenta-1,3-diene has a molecular weight of 324.31 g/mol, XLogP of 6.29, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-3-tert-butyl-5-(1,2,2,3,3,3-hexafluoropropylidene)-2-methyl-1-prop-1-en-2-ylcyclopenta-1,3-diene is sourced from PubChem (CID 11727067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).