1-(3,3,4,4,4-pentafluorobut-1-ynyl)cyclohexan-1-ol

C10H11F5O — CID 13406431

IUPAC1-(3,3,4,4,4-pentafluorobut-1-ynyl)cyclohexan-1-ol
SMILESOC1(C#CC(F)(F)C(F)(F)F)CCCCC1
InChIInChI=1S/C10H11F5O/c11-9(12,10(13,14)15)7-6-8(16)4-2-1-3-5-8/h16H,1-5H2
InChIKeyFFIWNPIMUKNBOI-UHFFFAOYSA-N
MW242.19 g/mol
LogP2.88
Rot. Bonds

About 1-(3,3,4,4,4-pentafluorobut-1-ynyl)cyclohexan-1-ol

1-(3,3,4,4,4-pentafluorobut-1-ynyl)cyclohexan-1-ol (PubChem CID 13406431) has the molecular formula C10H11F5O and a molecular weight of 242.19 g/mol. Its IUPAC name is 1-(3,3,4,4,4-pentafluorobut-1-ynyl)cyclohexan-1-ol.

Molecular Properties

Compound Name1-(3,3,4,4,4-pentafluorobut-1-ynyl)cyclohexan-1-ol
PubChem CID13406431
Molecular FormulaC10H11F5O
Molecular Weight242.19 g/mol
Exact Mass242.07
IUPAC Name1-(3,3,4,4,4-pentafluorobut-1-ynyl)cyclohexan-1-ol
SMILESOC1(C#CC(F)(F)C(F)(F)F)CCCCC1
InChIInChI=1S/C10H11F5O/c11-9(12,10(13,14)15)7-6-8(16)4-2-1-3-5-8/h16H,1-5H2
InChIKeyFFIWNPIMUKNBOI-UHFFFAOYSA-N
XLogP2.88
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.19
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(3,3,4,4,4-pentafluorobut-1-ynyl)cyclohexan-1-ol?
The IUPAC name of 1-(3,3,4,4,4-pentafluorobut-1-ynyl)cyclohexan-1-ol (CID 13406431) is 1-(3,3,4,4,4-pentafluorobut-1-ynyl)cyclohexan-1-ol.
What is the SMILES notation for 1-(3,3,4,4,4-pentafluorobut-1-ynyl)cyclohexan-1-ol?
The canonical SMILES for 1-(3,3,4,4,4-pentafluorobut-1-ynyl)cyclohexan-1-ol is OC1(C#CC(F)(F)C(F)(F)F)CCCCC1.
What is the InChIKey of 1-(3,3,4,4,4-pentafluorobut-1-ynyl)cyclohexan-1-ol?
The InChIKey is FFIWNPIMUKNBOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F5O/c11-9(12,10(13,14)15)7-6-8(16)4-2-1-3-5-8/h16H,1-5H2.
What are the key properties of 1-(3,3,4,4,4-pentafluorobut-1-ynyl)cyclohexan-1-ol?
1-(3,3,4,4,4-pentafluorobut-1-ynyl)cyclohexan-1-ol has a molecular weight of 242.19 g/mol, XLogP of 2.88, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3,4,4,4-pentafluorobut-1-ynyl)cyclohexan-1-ol is sourced from PubChem (CID 13406431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).