6-ethyl-4,4,5-trifluoroocta-1,5-dien-3-ol

C10H15F3O — CID 15896423

IUPAC6-ethyl-4,4,5-trifluoroocta-1,5-dien-3-ol
SMILESC=CC(O)C(F)(F)C(F)=C(CC)CC
InChIInChI=1S/C10H15F3O/c1-4-7(5-2)9(11)10(12,13)8(14)6-3/h6,8,14H,3-5H2,1-2H3
InChIKeyWQZQOJOFZWOUQN-UHFFFAOYSA-N
MW208.22 g/mol
LogP3.21
Rot. Bonds5

About 6-ethyl-4,4,5-trifluoroocta-1,5-dien-3-ol

6-ethyl-4,4,5-trifluoroocta-1,5-dien-3-ol (PubChem CID 15896423) has the molecular formula C10H15F3O and a molecular weight of 208.22 g/mol. Its IUPAC name is 6-ethyl-4,4,5-trifluoroocta-1,5-dien-3-ol.

Molecular Properties

Compound Name6-ethyl-4,4,5-trifluoroocta-1,5-dien-3-ol
PubChem CID15896423
Molecular FormulaC10H15F3O
Molecular Weight208.22 g/mol
Exact Mass208.11
IUPAC Name6-ethyl-4,4,5-trifluoroocta-1,5-dien-3-ol
SMILESC=CC(O)C(F)(F)C(F)=C(CC)CC
InChIInChI=1S/C10H15F3O/c1-4-7(5-2)9(11)10(12,13)8(14)6-3/h6,8,14H,3-5H2,1-2H3
InChIKeyWQZQOJOFZWOUQN-UHFFFAOYSA-N
XLogP3.21
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.22
LogP ≤ 53.21
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 6-ethyl-4,4,5-trifluoroocta-1,5-dien-3-ol?
The IUPAC name of 6-ethyl-4,4,5-trifluoroocta-1,5-dien-3-ol (CID 15896423) is 6-ethyl-4,4,5-trifluoroocta-1,5-dien-3-ol.
What is the SMILES notation for 6-ethyl-4,4,5-trifluoroocta-1,5-dien-3-ol?
The canonical SMILES for 6-ethyl-4,4,5-trifluoroocta-1,5-dien-3-ol is C=CC(O)C(F)(F)C(F)=C(CC)CC.
What is the InChIKey of 6-ethyl-4,4,5-trifluoroocta-1,5-dien-3-ol?
The InChIKey is WQZQOJOFZWOUQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3O/c1-4-7(5-2)9(11)10(12,13)8(14)6-3/h6,8,14H,3-5H2,1-2H3.
What are the key properties of 6-ethyl-4,4,5-trifluoroocta-1,5-dien-3-ol?
6-ethyl-4,4,5-trifluoroocta-1,5-dien-3-ol has a molecular weight of 208.22 g/mol, XLogP of 3.21, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-4,4,5-trifluoroocta-1,5-dien-3-ol is sourced from PubChem (CID 15896423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).