4-ethenyl-4,6-bis(trifluoromethyl)cyclohexa-1,5-dien-1-ol

C10H8F6O — CID 22336816

IUPAC4-ethenyl-4,6-bis(trifluoromethyl)cyclohexa-1,5-dien-1-ol
SMILESC=CC1(C(F)(F)F)C=C(C(F)(F)F)C(O)=CC1
InChIInChI=1S/C10H8F6O/c1-2-8(10(14,15)16)4-3-7(17)6(5-8)9(11,12)13/h2-3,5,17H,1,4H2
InChIKeyRMJNFSLMJZPDCY-UHFFFAOYSA-N
MW258.16 g/mol
LogP4.06
Rot. Bonds1

About 4-ethenyl-4,6-bis(trifluoromethyl)cyclohexa-1,5-dien-1-ol

4-ethenyl-4,6-bis(trifluoromethyl)cyclohexa-1,5-dien-1-ol (PubChem CID 22336816) has the molecular formula C10H8F6O and a molecular weight of 258.16 g/mol. Its IUPAC name is 4-ethenyl-4,6-bis(trifluoromethyl)cyclohexa-1,5-dien-1-ol.

Molecular Properties

Compound Name4-ethenyl-4,6-bis(trifluoromethyl)cyclohexa-1,5-dien-1-ol
PubChem CID22336816
Molecular FormulaC10H8F6O
Molecular Weight258.16 g/mol
Exact Mass258.05
IUPAC Name4-ethenyl-4,6-bis(trifluoromethyl)cyclohexa-1,5-dien-1-ol
SMILESC=CC1(C(F)(F)F)C=C(C(F)(F)F)C(O)=CC1
InChIInChI=1S/C10H8F6O/c1-2-8(10(14,15)16)4-3-7(17)6(5-8)9(11,12)13/h2-3,5,17H,1,4H2
InChIKeyRMJNFSLMJZPDCY-UHFFFAOYSA-N
XLogP4.06
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.16
LogP ≤ 54.06
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 4-ethenyl-4,6-bis(trifluoromethyl)cyclohexa-1,5-dien-1-ol?
The IUPAC name of 4-ethenyl-4,6-bis(trifluoromethyl)cyclohexa-1,5-dien-1-ol (CID 22336816) is 4-ethenyl-4,6-bis(trifluoromethyl)cyclohexa-1,5-dien-1-ol.
What is the SMILES notation for 4-ethenyl-4,6-bis(trifluoromethyl)cyclohexa-1,5-dien-1-ol?
The canonical SMILES for 4-ethenyl-4,6-bis(trifluoromethyl)cyclohexa-1,5-dien-1-ol is C=CC1(C(F)(F)F)C=C(C(F)(F)F)C(O)=CC1.
What is the InChIKey of 4-ethenyl-4,6-bis(trifluoromethyl)cyclohexa-1,5-dien-1-ol?
The InChIKey is RMJNFSLMJZPDCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F6O/c1-2-8(10(14,15)16)4-3-7(17)6(5-8)9(11,12)13/h2-3,5,17H,1,4H2.
What are the key properties of 4-ethenyl-4,6-bis(trifluoromethyl)cyclohexa-1,5-dien-1-ol?
4-ethenyl-4,6-bis(trifluoromethyl)cyclohexa-1,5-dien-1-ol has a molecular weight of 258.16 g/mol, XLogP of 4.06, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenyl-4,6-bis(trifluoromethyl)cyclohexa-1,5-dien-1-ol is sourced from PubChem (CID 22336816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).