5-prop-1-en-2-yl-5-(trifluoromethyl)cyclohexa-1,3-dien-1-ol

C10H11F3O — CID 141257136

IUPAC5-prop-1-en-2-yl-5-(trifluoromethyl)cyclohexa-1,3-dien-1-ol
SMILESC=C(C)C1(C(F)(F)F)C=CC=C(O)C1
InChIInChI=1S/C10H11F3O/c1-7(2)9(10(11,12)13)5-3-4-8(14)6-9/h3-5,14H,1,6H2,2H3
InChIKeySDYDAWPFOIKSFQ-UHFFFAOYSA-N
MW204.19 g/mol
LogP3.51
Rot. Bonds1

About 5-prop-1-en-2-yl-5-(trifluoromethyl)cyclohexa-1,3-dien-1-ol

5-prop-1-en-2-yl-5-(trifluoromethyl)cyclohexa-1,3-dien-1-ol (PubChem CID 141257136) has the molecular formula C10H11F3O and a molecular weight of 204.19 g/mol. Its IUPAC name is 5-prop-1-en-2-yl-5-(trifluoromethyl)cyclohexa-1,3-dien-1-ol.

Molecular Properties

Compound Name5-prop-1-en-2-yl-5-(trifluoromethyl)cyclohexa-1,3-dien-1-ol
PubChem CID141257136
Molecular FormulaC10H11F3O
Molecular Weight204.19 g/mol
Exact Mass204.08
IUPAC Name5-prop-1-en-2-yl-5-(trifluoromethyl)cyclohexa-1,3-dien-1-ol
SMILESC=C(C)C1(C(F)(F)F)C=CC=C(O)C1
InChIInChI=1S/C10H11F3O/c1-7(2)9(10(11,12)13)5-3-4-8(14)6-9/h3-5,14H,1,6H2,2H3
InChIKeySDYDAWPFOIKSFQ-UHFFFAOYSA-N
XLogP3.51
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.19
LogP ≤ 53.51
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 5-prop-1-en-2-yl-5-(trifluoromethyl)cyclohexa-1,3-dien-1-ol?
The IUPAC name of 5-prop-1-en-2-yl-5-(trifluoromethyl)cyclohexa-1,3-dien-1-ol (CID 141257136) is 5-prop-1-en-2-yl-5-(trifluoromethyl)cyclohexa-1,3-dien-1-ol.
What is the SMILES notation for 5-prop-1-en-2-yl-5-(trifluoromethyl)cyclohexa-1,3-dien-1-ol?
The canonical SMILES for 5-prop-1-en-2-yl-5-(trifluoromethyl)cyclohexa-1,3-dien-1-ol is C=C(C)C1(C(F)(F)F)C=CC=C(O)C1.
What is the InChIKey of 5-prop-1-en-2-yl-5-(trifluoromethyl)cyclohexa-1,3-dien-1-ol?
The InChIKey is SDYDAWPFOIKSFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3O/c1-7(2)9(10(11,12)13)5-3-4-8(14)6-9/h3-5,14H,1,6H2,2H3.
What are the key properties of 5-prop-1-en-2-yl-5-(trifluoromethyl)cyclohexa-1,3-dien-1-ol?
5-prop-1-en-2-yl-5-(trifluoromethyl)cyclohexa-1,3-dien-1-ol has a molecular weight of 204.19 g/mol, XLogP of 3.51, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-prop-1-en-2-yl-5-(trifluoromethyl)cyclohexa-1,3-dien-1-ol is sourced from PubChem (CID 141257136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).