3,4,4,5,5,6,6,6-octafluorohex-2-en-1-ol

C6H4F8O — CID 162396605

IUPAC3,4,4,5,5,6,6,6-octafluorohex-2-en-1-ol
SMILESOCC=C(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C6H4F8O/c7-3(1-2-15)4(8,9)5(10,11)6(12,13)14/h1,15H,2H2
InChIKeyVBOROMMCKGERTB-UHFFFAOYSA-N
MW244.08 g/mol
LogP2.66
Rot. Bonds3

About 3,4,4,5,5,6,6,6-octafluorohex-2-en-1-ol

3,4,4,5,5,6,6,6-octafluorohex-2-en-1-ol (PubChem CID 162396605) has the molecular formula C6H4F8O and a molecular weight of 244.08 g/mol. Its IUPAC name is 3,4,4,5,5,6,6,6-octafluorohex-2-en-1-ol.

Molecular Properties

Compound Name3,4,4,5,5,6,6,6-octafluorohex-2-en-1-ol
PubChem CID162396605
Molecular FormulaC6H4F8O
Molecular Weight244.08 g/mol
Exact Mass244.01
IUPAC Name3,4,4,5,5,6,6,6-octafluorohex-2-en-1-ol
SMILESOCC=C(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C6H4F8O/c7-3(1-2-15)4(8,9)5(10,11)6(12,13)14/h1,15H,2H2
InChIKeyVBOROMMCKGERTB-UHFFFAOYSA-N
XLogP2.66
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.08
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4,4,5,5,6,6,6-Heptafluoro-2-iodohex-2-en-1-ol
CID 614586
4,4,5,5,6,6,6-Heptafluorohex-2-en-1-ol
CID 2774915
4,4,5,5,6,6,7,7,7-Nonafluorohept-2-en-1-ol
CID 2775815
(2Z)-4,4,5,5,6,6,6-Heptafluoro-2-iodohex-2-en-1-ol
CID 5706480
(2E)-4,4,5,5,6,6,6-Heptafluorohex-2-en-1-ol
CID 5708520
(2E)-4,4,5,5,6,6,7,7,7-Nonafluorohept-2-en-1-ol
CID 5708662
(2E)-4,5,5,5-Tetrafluoro-4-(trifluoromethyl)pent-2-en-1-ol
CID 5708735
(2Z)-4,5,5,5-tetrafluoro-4-(trifluoromethyl)pent-2-en-1-ol
CID 44717634
4,5,5,5-Tetrafluoro-4-(trifluoromethyl)pent-2-en-1-ol
CID 2776809
3,4,4,5,5,6,6,7,7,8,8,8aDodecafluoroocta2aena1aol
CID 72781455
3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10aHexadecafluorodeca2aena1aol
CID 162396495
4,4,5,5,5-Pentafluoro-2-iodo-2-pentene-1-ol
CID 54432603

Frequently Asked Questions

What is the IUPAC name of 3,4,4,5,5,6,6,6-octafluorohex-2-en-1-ol?
The IUPAC name of 3,4,4,5,5,6,6,6-octafluorohex-2-en-1-ol (CID 162396605) is 3,4,4,5,5,6,6,6-octafluorohex-2-en-1-ol.
What is the SMILES notation for 3,4,4,5,5,6,6,6-octafluorohex-2-en-1-ol?
The canonical SMILES for 3,4,4,5,5,6,6,6-octafluorohex-2-en-1-ol is OCC=C(F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 3,4,4,5,5,6,6,6-octafluorohex-2-en-1-ol?
The InChIKey is VBOROMMCKGERTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4F8O/c7-3(1-2-15)4(8,9)5(10,11)6(12,13)14/h1,15H,2H2.
What are the key properties of 3,4,4,5,5,6,6,6-octafluorohex-2-en-1-ol?
3,4,4,5,5,6,6,6-octafluorohex-2-en-1-ol has a molecular weight of 244.08 g/mol, XLogP of 2.66, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,4,5,5,6,6,6-octafluorohex-2-en-1-ol is sourced from PubChem (CID 162396605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).