1,1,1,2,3,3-hexafluorohex-5-en-2-ol

C6H6F6O — CID 23508681

IUPAC1,1,1,2,3,3-hexafluorohex-5-en-2-ol
SMILESC=CCC(F)(F)C(O)(F)C(F)(F)F
InChIInChI=1S/C6H6F6O/c1-2-3-4(7,8)5(9,13)6(10,11)12/h2,13H,1,3H2
InChIKeyREJAZAMWXXOGFV-UHFFFAOYSA-N
MW208.10 g/mol
LogP2.42
Rot. Bonds3

About 1,1,1,2,3,3-hexafluorohex-5-en-2-ol

1,1,1,2,3,3-hexafluorohex-5-en-2-ol (PubChem CID 23508681) has the molecular formula C6H6F6O and a molecular weight of 208.10 g/mol. Its IUPAC name is 1,1,1,2,3,3-hexafluorohex-5-en-2-ol.

Molecular Properties

Compound Name1,1,1,2,3,3-hexafluorohex-5-en-2-ol
PubChem CID23508681
Molecular FormulaC6H6F6O
Molecular Weight208.10 g/mol
Exact Mass208.03
IUPAC Name1,1,1,2,3,3-hexafluorohex-5-en-2-ol
SMILESC=CCC(F)(F)C(O)(F)C(F)(F)F
InChIInChI=1S/C6H6F6O/c1-2-3-4(7,8)5(9,13)6(10,11)12/h2,13H,1,3H2
InChIKeyREJAZAMWXXOGFV-UHFFFAOYSA-N
XLogP2.42
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.10
LogP ≤ 52.42
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 1,1,1,2,3,3-hexafluorohex-5-en-2-ol?
The IUPAC name of 1,1,1,2,3,3-hexafluorohex-5-en-2-ol (CID 23508681) is 1,1,1,2,3,3-hexafluorohex-5-en-2-ol.
What is the SMILES notation for 1,1,1,2,3,3-hexafluorohex-5-en-2-ol?
The canonical SMILES for 1,1,1,2,3,3-hexafluorohex-5-en-2-ol is C=CCC(F)(F)C(O)(F)C(F)(F)F.
What is the InChIKey of 1,1,1,2,3,3-hexafluorohex-5-en-2-ol?
The InChIKey is REJAZAMWXXOGFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6F6O/c1-2-3-4(7,8)5(9,13)6(10,11)12/h2,13H,1,3H2.
What are the key properties of 1,1,1,2,3,3-hexafluorohex-5-en-2-ol?
1,1,1,2,3,3-hexafluorohex-5-en-2-ol has a molecular weight of 208.10 g/mol, XLogP of 2.42, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,2,3,3-hexafluorohex-5-en-2-ol is sourced from PubChem (CID 23508681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).