1-(3,3,3-trifluoroprop-1-ynyl)cyclopentan-1-ol

C8H9F3O — CID 3607668

IUPAC1-(3,3,3-trifluoroprop-1-ynyl)cyclopentan-1-ol
SMILESOC1(C#CC(F)(F)F)CCCC1
InChIInChI=1S/C8H9F3O/c9-8(10,11)6-5-7(12)3-1-2-4-7/h12H,1-4H2
InChIKeyNZYHTZLVYAXZKF-UHFFFAOYSA-N
MW178.15 g/mol
LogP1.86
Rot. Bonds

About 1-(3,3,3-trifluoroprop-1-ynyl)cyclopentan-1-ol

1-(3,3,3-trifluoroprop-1-ynyl)cyclopentan-1-ol (PubChem CID 3607668) has the molecular formula C8H9F3O and a molecular weight of 178.15 g/mol. Its IUPAC name is 1-(3,3,3-trifluoroprop-1-ynyl)cyclopentan-1-ol.

Molecular Properties

Compound Name1-(3,3,3-trifluoroprop-1-ynyl)cyclopentan-1-ol
PubChem CID3607668
Molecular FormulaC8H9F3O
Molecular Weight178.15 g/mol
Exact Mass178.06
IUPAC Name1-(3,3,3-trifluoroprop-1-ynyl)cyclopentan-1-ol
SMILESOC1(C#CC(F)(F)F)CCCC1
InChIInChI=1S/C8H9F3O/c9-8(10,11)6-5-7(12)3-1-2-4-7/h12H,1-4H2
InChIKeyNZYHTZLVYAXZKF-UHFFFAOYSA-N
XLogP1.86
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.15
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(3,3,3-trifluoroprop-1-ynyl)cyclopentan-1-ol?
The IUPAC name of 1-(3,3,3-trifluoroprop-1-ynyl)cyclopentan-1-ol (CID 3607668) is 1-(3,3,3-trifluoroprop-1-ynyl)cyclopentan-1-ol.
What is the SMILES notation for 1-(3,3,3-trifluoroprop-1-ynyl)cyclopentan-1-ol?
The canonical SMILES for 1-(3,3,3-trifluoroprop-1-ynyl)cyclopentan-1-ol is OC1(C#CC(F)(F)F)CCCC1.
What is the InChIKey of 1-(3,3,3-trifluoroprop-1-ynyl)cyclopentan-1-ol?
The InChIKey is NZYHTZLVYAXZKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F3O/c9-8(10,11)6-5-7(12)3-1-2-4-7/h12H,1-4H2.
What are the key properties of 1-(3,3,3-trifluoroprop-1-ynyl)cyclopentan-1-ol?
1-(3,3,3-trifluoroprop-1-ynyl)cyclopentan-1-ol has a molecular weight of 178.15 g/mol, XLogP of 1.86, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3,3-trifluoroprop-1-ynyl)cyclopentan-1-ol is sourced from PubChem (CID 3607668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).