8,8,8-trifluorooct-6-yn-4-ol

C8H11F3O — CID 154382545

IUPAC8,8,8-trifluorooct-6-yn-4-ol
SMILESCCCC(O)CC#CC(F)(F)F
InChIInChI=1S/C8H11F3O/c1-2-4-7(12)5-3-6-8(9,10)11/h7,12H,2,4-5H2,1H3
InChIKeyKLXCOAYRDCPGCZ-UHFFFAOYSA-N
MW180.17 g/mol
LogP2.10
Rot. Bonds3

About 8,8,8-trifluorooct-6-yn-4-ol

8,8,8-trifluorooct-6-yn-4-ol (PubChem CID 154382545) has the molecular formula C8H11F3O and a molecular weight of 180.17 g/mol. Its IUPAC name is 8,8,8-trifluorooct-6-yn-4-ol.

Molecular Properties

Compound Name8,8,8-trifluorooct-6-yn-4-ol
PubChem CID154382545
Molecular FormulaC8H11F3O
Molecular Weight180.17 g/mol
Exact Mass180.08
IUPAC Name8,8,8-trifluorooct-6-yn-4-ol
SMILESCCCC(O)CC#CC(F)(F)F
InChIInChI=1S/C8H11F3O/c1-2-4-7(12)5-3-6-8(9,10)11/h7,12H,2,4-5H2,1H3
InChIKeyKLXCOAYRDCPGCZ-UHFFFAOYSA-N
XLogP2.10
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.17
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

dec-4-yne-3,7-diol
CID 123581692
7,7-dimethyloct-5-yn-3-ol
CID 12794181
hexan-3-ol
CID 12178
hexan-3-ol;λ2-plumbane
CID 174675580
(4R,8R)-undecane-4,8-diol
CID 101372142
(4S)-1,1,1-trifluoronon-2-yn-4-ol
CID 10535800
undec-2-yne-1,5-diol
CID 14791778
(2R)-1,1,1-trifluoropentan-2-ol
CID 13299815
non-8-yne-3,6-diol
CID 141036935
1,1-bis(1,1,2,2,2-pentafluoroethylsulfonyl)hexan-3-ol
CID 88964964
(4R)-1-trimethylsilyltridec-1-yn-4-ol
CID 139667273
6-hydroxy-3-methylnonanenitrile
CID 174261450

Frequently Asked Questions

What is the IUPAC name of 8,8,8-trifluorooct-6-yn-4-ol?
The IUPAC name of 8,8,8-trifluorooct-6-yn-4-ol (CID 154382545) is 8,8,8-trifluorooct-6-yn-4-ol.
What is the SMILES notation for 8,8,8-trifluorooct-6-yn-4-ol?
The canonical SMILES for 8,8,8-trifluorooct-6-yn-4-ol is CCCC(O)CC#CC(F)(F)F.
What is the InChIKey of 8,8,8-trifluorooct-6-yn-4-ol?
The InChIKey is KLXCOAYRDCPGCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F3O/c1-2-4-7(12)5-3-6-8(9,10)11/h7,12H,2,4-5H2,1H3.
What are the key properties of 8,8,8-trifluorooct-6-yn-4-ol?
8,8,8-trifluorooct-6-yn-4-ol has a molecular weight of 180.17 g/mol, XLogP of 2.10, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8,8,8-trifluorooct-6-yn-4-ol is sourced from PubChem (CID 154382545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).