(1Z)-1-[3-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]buta-1,3-dien-1-ol

C11H11F3O — CID 147549097

IUPAC(1Z)-1-[3-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]buta-1,3-dien-1-ol
SMILESC=C/C=C(\O)C1=CC(C(F)(F)F)CC=C1
InChIInChI=1S/C11H11F3O/c1-2-4-10(15)8-5-3-6-9(7-8)11(12,13)14/h2-5,7,9,15H,1,6H2/b10-4-
InChIKeyFQKNUKUEWSHNGW-WMZJFQQLSA-N
MW216.20 g/mol
LogP3.68
Rot. Bonds2

About (1Z)-1-[3-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]buta-1,3-dien-1-ol

(1Z)-1-[3-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]buta-1,3-dien-1-ol (PubChem CID 147549097) has the molecular formula C11H11F3O and a molecular weight of 216.20 g/mol. Its IUPAC name is (1Z)-1-[3-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]buta-1,3-dien-1-ol.

Molecular Properties

Compound Name(1Z)-1-[3-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]buta-1,3-dien-1-ol
PubChem CID147549097
Molecular FormulaC11H11F3O
Molecular Weight216.20 g/mol
Exact Mass216.08
IUPAC Name(1Z)-1-[3-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]buta-1,3-dien-1-ol
SMILESC=C/C=C(\O)C1=CC(C(F)(F)F)CC=C1
InChIInChI=1S/C11H11F3O/c1-2-4-10(15)8-5-3-6-9(7-8)11(12,13)14/h2-5,7,9,15H,1,6H2/b10-4-
InChIKeyFQKNUKUEWSHNGW-WMZJFQQLSA-N
XLogP3.68
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.20
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze (1Z)-1-[3-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]buta-1,3-dien-1-ol with MolForge

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Related Compounds

1-(Trifluoromethyl)cyclohexa-2,4-dien-1-ol
CID 139242865
2-Cyclohexa-1,5-dien-1-yl-1,1,1,3,3,3-hexafluoropropan-2-ol
CID 17980284
1-Cyclohexa-1,5-dien-1-yl-2,2,2-trifluoroethanol
CID 21886415
4-Ethenyl-4,6-bis(trifluoromethyl)cyclohexa-1,5-dien-1-ol
CID 22336816
4-(1,1,1,3,3,3-Hexafluoro-2-hydroxypropan-2-yl)-1-methylcyclohexa-2,4-dien-1-ol
CID 88746518
(2E,4Z)-1-cyclopropylidene-2-[(E)-3,3,3-trifluoroprop-1-enyl]hexa-2,4-dien-1-ol
CID 88932310
2,2,2-Trifluoro-1-(4-methylcyclohexa-1,5-dien-1-yl)ethanol
CID 89189494
2,4-Difluoro-3,4,6-trimethylcyclohexa-1,5-dien-1-ol
CID 89738731
2-(Difluoromethyl)-3,6-dimethylidenecyclohexa-1,4-diene-1,4-diol
CID 90939794
3-Ethylidene-1,1,1-trifluoro-2,5,6-trimethyldeca-4,6,8-trien-2-ol
CID 123221838
3-Ethenyl-1,1,1-trifluoro-2-(trifluoromethyl)hex-3-en-2-ol
CID 123436674
4-Ethenyl-2,4-difluorocyclohexa-1,5-dien-1-ol
CID 130339575

Frequently Asked Questions

What is the IUPAC name of (1Z)-1-[3-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]buta-1,3-dien-1-ol?
The IUPAC name of (1Z)-1-[3-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]buta-1,3-dien-1-ol (CID 147549097) is (1Z)-1-[3-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]buta-1,3-dien-1-ol.
What is the SMILES notation for (1Z)-1-[3-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]buta-1,3-dien-1-ol?
The canonical SMILES for (1Z)-1-[3-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]buta-1,3-dien-1-ol is C=C/C=C(\O)C1=CC(C(F)(F)F)CC=C1.
What is the InChIKey of (1Z)-1-[3-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]buta-1,3-dien-1-ol?
The InChIKey is FQKNUKUEWSHNGW-WMZJFQQLSA-N. The full InChI is InChI=1S/C11H11F3O/c1-2-4-10(15)8-5-3-6-9(7-8)11(12,13)14/h2-5,7,9,15H,1,6H2/b10-4-.
What are the key properties of (1Z)-1-[3-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]buta-1,3-dien-1-ol?
(1Z)-1-[3-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]buta-1,3-dien-1-ol has a molecular weight of 216.20 g/mol, XLogP of 3.68, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z)-1-[3-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]buta-1,3-dien-1-ol is sourced from PubChem (CID 147549097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).