1,1,1-trifluorooct-4-en-2-ol

C8H13F3O — CID 91108415

IUPAC1,1,1-trifluorooct-4-en-2-ol
SMILESCCCC=CCC(O)C(F)(F)F
InChIInChI=1S/C8H13F3O/c1-2-3-4-5-6-7(12)8(9,10)11/h4-5,7,12H,2-3,6H2,1H3
InChIKeyBYCCJUKQYFMFDE-UHFFFAOYSA-N
MW182.18 g/mol
LogP2.66
Rot. Bonds4

About 1,1,1-trifluorooct-4-en-2-ol

1,1,1-trifluorooct-4-en-2-ol (PubChem CID 91108415) has the molecular formula C8H13F3O and a molecular weight of 182.18 g/mol. Its IUPAC name is 1,1,1-trifluorooct-4-en-2-ol.

Molecular Properties

Compound Name1,1,1-trifluorooct-4-en-2-ol
PubChem CID91108415
Molecular FormulaC8H13F3O
Molecular Weight182.18 g/mol
Exact Mass182.09
IUPAC Name1,1,1-trifluorooct-4-en-2-ol
SMILESCCCC=CCC(O)C(F)(F)F
InChIInChI=1S/C8H13F3O/c1-2-3-4-5-6-7(12)8(9,10)11/h4-5,7,12H,2-3,6H2,1H3
InChIKeyBYCCJUKQYFMFDE-UHFFFAOYSA-N
XLogP2.66
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.18
LogP ≤ 52.66
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 1,1,1-trifluorooct-4-en-2-ol?
The IUPAC name of 1,1,1-trifluorooct-4-en-2-ol (CID 91108415) is 1,1,1-trifluorooct-4-en-2-ol.
What is the SMILES notation for 1,1,1-trifluorooct-4-en-2-ol?
The canonical SMILES for 1,1,1-trifluorooct-4-en-2-ol is CCCC=CCC(O)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluorooct-4-en-2-ol?
The InChIKey is BYCCJUKQYFMFDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F3O/c1-2-3-4-5-6-7(12)8(9,10)11/h4-5,7,12H,2-3,6H2,1H3.
What are the key properties of 1,1,1-trifluorooct-4-en-2-ol?
1,1,1-trifluorooct-4-en-2-ol has a molecular weight of 182.18 g/mol, XLogP of 2.66, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluorooct-4-en-2-ol is sourced from PubChem (CID 91108415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).