(6E)-6-(1-cyclopropylethylidene)-2-(trifluoromethyl)cyclohexa-1,3-diene

C12H12F3+ — CID 135816714

IUPAC(6E)-6-(1-cyclopropylethylidene)-2-(trifluoromethyl)cyclohexa-1,3-diene
SMILESC/C(=C1\C=C(C(F)(F)F)C=C[CH+]1)C1CC1
InChIInChI=1S/C12H12F3/c1-8(9-5-6-9)10-3-2-4-11(7-10)12(13,14)15/h2-4,7,9H,5-6H2,1H3/q+1/b10-8+
InChIKeyKTIRZHNHDVPCRN-CSKARUKUSA-N
MW213.22 g/mol
LogP3.98
Rot. Bonds1

About (6E)-6-(1-cyclopropylethylidene)-2-(trifluoromethyl)cyclohexa-1,3-diene

(6E)-6-(1-cyclopropylethylidene)-2-(trifluoromethyl)cyclohexa-1,3-diene (PubChem CID 135816714) has the molecular formula C12H12F3+ and a molecular weight of 213.22 g/mol. Its IUPAC name is (6E)-6-(1-cyclopropylethylidene)-2-(trifluoromethyl)cyclohexa-1,3-diene.

Molecular Properties

Compound Name(6E)-6-(1-cyclopropylethylidene)-2-(trifluoromethyl)cyclohexa-1,3-diene
PubChem CID135816714
Molecular FormulaC12H12F3+
Molecular Weight213.22 g/mol
Exact Mass213.09
IUPAC Name(6E)-6-(1-cyclopropylethylidene)-2-(trifluoromethyl)cyclohexa-1,3-diene
SMILESC/C(=C1\C=C(C(F)(F)F)C=C[CH+]1)C1CC1
InChIInChI=1S/C12H12F3/c1-8(9-5-6-9)10-3-2-4-11(7-10)12(13,14)15/h2-4,7,9H,5-6H2,1H3/q+1/b10-8+
InChIKeyKTIRZHNHDVPCRN-CSKARUKUSA-N
XLogP3.98
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.22
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (6E)-6-(1-cyclopropylethylidene)-2-(trifluoromethyl)cyclohexa-1,3-diene?
The IUPAC name of (6E)-6-(1-cyclopropylethylidene)-2-(trifluoromethyl)cyclohexa-1,3-diene (CID 135816714) is (6E)-6-(1-cyclopropylethylidene)-2-(trifluoromethyl)cyclohexa-1,3-diene.
What is the SMILES notation for (6E)-6-(1-cyclopropylethylidene)-2-(trifluoromethyl)cyclohexa-1,3-diene?
The canonical SMILES for (6E)-6-(1-cyclopropylethylidene)-2-(trifluoromethyl)cyclohexa-1,3-diene is C/C(=C1\C=C(C(F)(F)F)C=C[CH+]1)C1CC1.
What is the InChIKey of (6E)-6-(1-cyclopropylethylidene)-2-(trifluoromethyl)cyclohexa-1,3-diene?
The InChIKey is KTIRZHNHDVPCRN-CSKARUKUSA-N. The full InChI is InChI=1S/C12H12F3/c1-8(9-5-6-9)10-3-2-4-11(7-10)12(13,14)15/h2-4,7,9H,5-6H2,1H3/q+1/b10-8+.
What are the key properties of (6E)-6-(1-cyclopropylethylidene)-2-(trifluoromethyl)cyclohexa-1,3-diene?
(6E)-6-(1-cyclopropylethylidene)-2-(trifluoromethyl)cyclohexa-1,3-diene has a molecular weight of 213.22 g/mol, XLogP of 3.98, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (6E)-6-(1-cyclopropylethylidene)-2-(trifluoromethyl)cyclohexa-1,3-diene is sourced from PubChem (CID 135816714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).