4,5,5-trifluoro-2-prop-2-enylpent-4-en-1-ol

C8H11F3O — CID 71416305

IUPAC4,5,5-trifluoro-2-prop-2-enylpent-4-en-1-ol
SMILESC=CCC(CO)CC(F)=C(F)F
InChIInChI=1S/C8H11F3O/c1-2-3-6(5-12)4-7(9)8(10)11/h2,6,12H,1,3-5H2
InChIKeyNCLWMPITIWBIDG-UHFFFAOYSA-N
MW180.17 g/mol
LogP2.64
Rot. Bonds5

About 4,5,5-trifluoro-2-prop-2-enylpent-4-en-1-ol

4,5,5-trifluoro-2-prop-2-enylpent-4-en-1-ol (PubChem CID 71416305) has the molecular formula C8H11F3O and a molecular weight of 180.17 g/mol. Its IUPAC name is 4,5,5-trifluoro-2-prop-2-enylpent-4-en-1-ol.

Molecular Properties

Compound Name4,5,5-trifluoro-2-prop-2-enylpent-4-en-1-ol
PubChem CID71416305
Molecular FormulaC8H11F3O
Molecular Weight180.17 g/mol
Exact Mass180.08
IUPAC Name4,5,5-trifluoro-2-prop-2-enylpent-4-en-1-ol
SMILESC=CCC(CO)CC(F)=C(F)F
InChIInChI=1S/C8H11F3O/c1-2-3-6(5-12)4-7(9)8(10)11/h2,6,12H,1,3-5H2
InChIKeyNCLWMPITIWBIDG-UHFFFAOYSA-N
XLogP2.64
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.17
LogP ≤ 52.64
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 4,5,5-trifluoro-2-prop-2-enylpent-4-en-1-ol?
The IUPAC name of 4,5,5-trifluoro-2-prop-2-enylpent-4-en-1-ol (CID 71416305) is 4,5,5-trifluoro-2-prop-2-enylpent-4-en-1-ol.
What is the SMILES notation for 4,5,5-trifluoro-2-prop-2-enylpent-4-en-1-ol?
The canonical SMILES for 4,5,5-trifluoro-2-prop-2-enylpent-4-en-1-ol is C=CCC(CO)CC(F)=C(F)F.
What is the InChIKey of 4,5,5-trifluoro-2-prop-2-enylpent-4-en-1-ol?
The InChIKey is NCLWMPITIWBIDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F3O/c1-2-3-6(5-12)4-7(9)8(10)11/h2,6,12H,1,3-5H2.
What are the key properties of 4,5,5-trifluoro-2-prop-2-enylpent-4-en-1-ol?
4,5,5-trifluoro-2-prop-2-enylpent-4-en-1-ol has a molecular weight of 180.17 g/mol, XLogP of 2.64, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5,5-trifluoro-2-prop-2-enylpent-4-en-1-ol is sourced from PubChem (CID 71416305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).