(E)-2-methyl-3-[4-(trifluoromethyl)cyclohex-2-en-1-yl]prop-2-en-1-ol

C11H15F3O — CID 71037334

IUPAC(E)-2-methyl-3-[4-(trifluoromethyl)cyclohex-2-en-1-yl]prop-2-en-1-ol
SMILESC/C(=C\C1C=CC(C(F)(F)F)CC1)CO
InChIInChI=1S/C11H15F3O/c1-8(7-15)6-9-2-4-10(5-3-9)11(12,13)14/h2,4,6,9-10,15H,3,5,7H2,1H3/b8-6+
InChIKeyISHKPYXBVJAWCR-SOFGYWHQSA-N
MW220.23 g/mol
LogP3.07
Rot. Bonds2

About (E)-2-methyl-3-[4-(trifluoromethyl)cyclohex-2-en-1-yl]prop-2-en-1-ol

(E)-2-methyl-3-[4-(trifluoromethyl)cyclohex-2-en-1-yl]prop-2-en-1-ol (PubChem CID 71037334) has the molecular formula C11H15F3O and a molecular weight of 220.23 g/mol. Its IUPAC name is (E)-2-methyl-3-[4-(trifluoromethyl)cyclohex-2-en-1-yl]prop-2-en-1-ol.

Molecular Properties

Compound Name(E)-2-methyl-3-[4-(trifluoromethyl)cyclohex-2-en-1-yl]prop-2-en-1-ol
PubChem CID71037334
Molecular FormulaC11H15F3O
Molecular Weight220.23 g/mol
Exact Mass220.11
IUPAC Name(E)-2-methyl-3-[4-(trifluoromethyl)cyclohex-2-en-1-yl]prop-2-en-1-ol
SMILESC/C(=C\C1C=CC(C(F)(F)F)CC1)CO
InChIInChI=1S/C11H15F3O/c1-8(7-15)6-9-2-4-10(5-3-9)11(12,13)14/h2,4,6,9-10,15H,3,5,7H2,1H3/b8-6+
InChIKeyISHKPYXBVJAWCR-SOFGYWHQSA-N
XLogP3.07
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.23
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-2-methyl-3-[4-(trifluoromethyl)cyclohex-2-en-1-yl]prop-2-en-1-ol?
The IUPAC name of (E)-2-methyl-3-[4-(trifluoromethyl)cyclohex-2-en-1-yl]prop-2-en-1-ol (CID 71037334) is (E)-2-methyl-3-[4-(trifluoromethyl)cyclohex-2-en-1-yl]prop-2-en-1-ol.
What is the SMILES notation for (E)-2-methyl-3-[4-(trifluoromethyl)cyclohex-2-en-1-yl]prop-2-en-1-ol?
The canonical SMILES for (E)-2-methyl-3-[4-(trifluoromethyl)cyclohex-2-en-1-yl]prop-2-en-1-ol is C/C(=C\C1C=CC(C(F)(F)F)CC1)CO.
What is the InChIKey of (E)-2-methyl-3-[4-(trifluoromethyl)cyclohex-2-en-1-yl]prop-2-en-1-ol?
The InChIKey is ISHKPYXBVJAWCR-SOFGYWHQSA-N. The full InChI is InChI=1S/C11H15F3O/c1-8(7-15)6-9-2-4-10(5-3-9)11(12,13)14/h2,4,6,9-10,15H,3,5,7H2,1H3/b8-6+.
What are the key properties of (E)-2-methyl-3-[4-(trifluoromethyl)cyclohex-2-en-1-yl]prop-2-en-1-ol?
(E)-2-methyl-3-[4-(trifluoromethyl)cyclohex-2-en-1-yl]prop-2-en-1-ol has a molecular weight of 220.23 g/mol, XLogP of 3.07, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-methyl-3-[4-(trifluoromethyl)cyclohex-2-en-1-yl]prop-2-en-1-ol is sourced from PubChem (CID 71037334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).