3-(trifluoromethyl)penta-1,4-dien-3-ol

C6H7F3O — CID 169094405

IUPAC3-(trifluoromethyl)penta-1,4-dien-3-ol
SMILESC=CC(O)(C=C)C(F)(F)F
InChIInChI=1S/C6H7F3O/c1-3-5(10,4-2)6(7,8)9/h3-4,10H,1-2H2
InChIKeyTVCJAUVGUJGJRE-UHFFFAOYSA-N
MW152.11 g/mol
LogP1.65
Rot. Bonds2

About 3-(trifluoromethyl)penta-1,4-dien-3-ol

3-(trifluoromethyl)penta-1,4-dien-3-ol (PubChem CID 169094405) has the molecular formula C6H7F3O and a molecular weight of 152.11 g/mol. Its IUPAC name is 3-(trifluoromethyl)penta-1,4-dien-3-ol.

Molecular Properties

Compound Name3-(trifluoromethyl)penta-1,4-dien-3-ol
PubChem CID169094405
Molecular FormulaC6H7F3O
Molecular Weight152.11 g/mol
Exact Mass152.04
IUPAC Name3-(trifluoromethyl)penta-1,4-dien-3-ol
SMILESC=CC(O)(C=C)C(F)(F)F
InChIInChI=1S/C6H7F3O/c1-3-5(10,4-2)6(7,8)9/h3-4,10H,1-2H2
InChIKeyTVCJAUVGUJGJRE-UHFFFAOYSA-N
XLogP1.65
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.11
LogP ≤ 51.65
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 3-(trifluoromethyl)penta-1,4-dien-3-ol?
The IUPAC name of 3-(trifluoromethyl)penta-1,4-dien-3-ol (CID 169094405) is 3-(trifluoromethyl)penta-1,4-dien-3-ol.
What is the SMILES notation for 3-(trifluoromethyl)penta-1,4-dien-3-ol?
The canonical SMILES for 3-(trifluoromethyl)penta-1,4-dien-3-ol is C=CC(O)(C=C)C(F)(F)F.
What is the InChIKey of 3-(trifluoromethyl)penta-1,4-dien-3-ol?
The InChIKey is TVCJAUVGUJGJRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7F3O/c1-3-5(10,4-2)6(7,8)9/h3-4,10H,1-2H2.
What are the key properties of 3-(trifluoromethyl)penta-1,4-dien-3-ol?
3-(trifluoromethyl)penta-1,4-dien-3-ol has a molecular weight of 152.11 g/mol, XLogP of 1.65, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(trifluoromethyl)penta-1,4-dien-3-ol is sourced from PubChem (CID 169094405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).