1,1,1,6,6,6-hexafluoro-2-(trifluoromethyl)hex-4-en-2-ol

C7H5F9O — CID 91475394

IUPAC1,1,1,6,6,6-hexafluoro-2-(trifluoromethyl)hex-4-en-2-ol
SMILESOC(CC=CC(F)(F)F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C7H5F9O/c8-5(9,10)3-1-2-4(17,6(11,12)13)7(14,15)16/h1,3,17H,2H2
InChIKeyCRILWRHLGRXGDJ-UHFFFAOYSA-N
MW276.10 g/mol
LogP3.35
Rot. Bonds2

About 1,1,1,6,6,6-hexafluoro-2-(trifluoromethyl)hex-4-en-2-ol

1,1,1,6,6,6-hexafluoro-2-(trifluoromethyl)hex-4-en-2-ol (PubChem CID 91475394) has the molecular formula C7H5F9O and a molecular weight of 276.10 g/mol. Its IUPAC name is 1,1,1,6,6,6-hexafluoro-2-(trifluoromethyl)hex-4-en-2-ol.

Molecular Properties

Compound Name1,1,1,6,6,6-hexafluoro-2-(trifluoromethyl)hex-4-en-2-ol
PubChem CID91475394
Molecular FormulaC7H5F9O
Molecular Weight276.10 g/mol
Exact Mass276.02
IUPAC Name1,1,1,6,6,6-hexafluoro-2-(trifluoromethyl)hex-4-en-2-ol
SMILESOC(CC=CC(F)(F)F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C7H5F9O/c8-5(9,10)3-1-2-4(17,6(11,12)13)7(14,15)16/h1,3,17H,2H2
InChIKeyCRILWRHLGRXGDJ-UHFFFAOYSA-N
XLogP3.35
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.10
LogP ≤ 53.35
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 1,1,1,6,6,6-hexafluoro-2-(trifluoromethyl)hex-4-en-2-ol?
The IUPAC name of 1,1,1,6,6,6-hexafluoro-2-(trifluoromethyl)hex-4-en-2-ol (CID 91475394) is 1,1,1,6,6,6-hexafluoro-2-(trifluoromethyl)hex-4-en-2-ol.
What is the SMILES notation for 1,1,1,6,6,6-hexafluoro-2-(trifluoromethyl)hex-4-en-2-ol?
The canonical SMILES for 1,1,1,6,6,6-hexafluoro-2-(trifluoromethyl)hex-4-en-2-ol is OC(CC=CC(F)(F)F)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1,1,1,6,6,6-hexafluoro-2-(trifluoromethyl)hex-4-en-2-ol?
The InChIKey is CRILWRHLGRXGDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5F9O/c8-5(9,10)3-1-2-4(17,6(11,12)13)7(14,15)16/h1,3,17H,2H2.
What are the key properties of 1,1,1,6,6,6-hexafluoro-2-(trifluoromethyl)hex-4-en-2-ol?
1,1,1,6,6,6-hexafluoro-2-(trifluoromethyl)hex-4-en-2-ol has a molecular weight of 276.10 g/mol, XLogP of 3.35, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,6,6,6-hexafluoro-2-(trifluoromethyl)hex-4-en-2-ol is sourced from PubChem (CID 91475394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).