3-ethenyl-1,1,1-trifluoro-2-(trifluoromethyl)hex-3-en-2-ol

C9H10F6O — CID 123436674

IUPAC3-ethenyl-1,1,1-trifluoro-2-(trifluoromethyl)hex-3-en-2-ol
SMILESC=CC(=CCC)C(O)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C9H10F6O/c1-3-5-6(4-2)7(16,8(10,11)12)9(13,14)15/h4-5,16H,2-3H2,1H3
InChIKeyMXFINCYPQUCBAY-UHFFFAOYSA-N
MW248.17 g/mol
LogP3.36
Rot. Bonds3

About 3-ethenyl-1,1,1-trifluoro-2-(trifluoromethyl)hex-3-en-2-ol

3-ethenyl-1,1,1-trifluoro-2-(trifluoromethyl)hex-3-en-2-ol (PubChem CID 123436674) has the molecular formula C9H10F6O and a molecular weight of 248.17 g/mol. Its IUPAC name is 3-ethenyl-1,1,1-trifluoro-2-(trifluoromethyl)hex-3-en-2-ol.

Molecular Properties

Compound Name3-ethenyl-1,1,1-trifluoro-2-(trifluoromethyl)hex-3-en-2-ol
PubChem CID123436674
Molecular FormulaC9H10F6O
Molecular Weight248.17 g/mol
Exact Mass248.06
IUPAC Name3-ethenyl-1,1,1-trifluoro-2-(trifluoromethyl)hex-3-en-2-ol
SMILESC=CC(=CCC)C(O)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C9H10F6O/c1-3-5-6(4-2)7(16,8(10,11)12)9(13,14)15/h4-5,16H,2-3H2,1H3
InChIKeyMXFINCYPQUCBAY-UHFFFAOYSA-N
XLogP3.36
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.17
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-ethenyl-1,1,1-trifluoro-2-(trifluoromethyl)hex-3-en-2-ol?
The IUPAC name of 3-ethenyl-1,1,1-trifluoro-2-(trifluoromethyl)hex-3-en-2-ol (CID 123436674) is 3-ethenyl-1,1,1-trifluoro-2-(trifluoromethyl)hex-3-en-2-ol.
What is the SMILES notation for 3-ethenyl-1,1,1-trifluoro-2-(trifluoromethyl)hex-3-en-2-ol?
The canonical SMILES for 3-ethenyl-1,1,1-trifluoro-2-(trifluoromethyl)hex-3-en-2-ol is C=CC(=CCC)C(O)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 3-ethenyl-1,1,1-trifluoro-2-(trifluoromethyl)hex-3-en-2-ol?
The InChIKey is MXFINCYPQUCBAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F6O/c1-3-5-6(4-2)7(16,8(10,11)12)9(13,14)15/h4-5,16H,2-3H2,1H3.
What are the key properties of 3-ethenyl-1,1,1-trifluoro-2-(trifluoromethyl)hex-3-en-2-ol?
3-ethenyl-1,1,1-trifluoro-2-(trifluoromethyl)hex-3-en-2-ol has a molecular weight of 248.17 g/mol, XLogP of 3.36, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethenyl-1,1,1-trifluoro-2-(trifluoromethyl)hex-3-en-2-ol is sourced from PubChem (CID 123436674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).