1-(cyclopenten-1-yl)-3-(2,2,2-trifluoroethoxy)propan-1-ol

C10H15F3O2 — CID 103210259

IUPAC1-(cyclopenten-1-yl)-3-(2,2,2-trifluoroethoxy)propan-1-ol
SMILESOC(CCOCC(F)(F)F)C1=CCCC1
InChIInChI=1S/C10H15F3O2/c11-10(12,13)7-15-6-5-9(14)8-3-1-2-4-8/h3,9,14H,1-2,4-7H2
InChIKeyUBBFDVVALIYWTF-UHFFFAOYSA-N
MW224.22 g/mol
LogP2.43
Rot. Bonds5

About 1-(cyclopenten-1-yl)-3-(2,2,2-trifluoroethoxy)propan-1-ol

1-(cyclopenten-1-yl)-3-(2,2,2-trifluoroethoxy)propan-1-ol (PubChem CID 103210259) has the molecular formula C10H15F3O2 and a molecular weight of 224.22 g/mol. Its IUPAC name is 1-(cyclopenten-1-yl)-3-(2,2,2-trifluoroethoxy)propan-1-ol.

Molecular Properties

Compound Name1-(cyclopenten-1-yl)-3-(2,2,2-trifluoroethoxy)propan-1-ol
PubChem CID103210259
Molecular FormulaC10H15F3O2
Molecular Weight224.22 g/mol
Exact Mass224.10
IUPAC Name1-(cyclopenten-1-yl)-3-(2,2,2-trifluoroethoxy)propan-1-ol
SMILESOC(CCOCC(F)(F)F)C1=CCCC1
InChIInChI=1S/C10H15F3O2/c11-10(12,13)7-15-6-5-9(14)8-3-1-2-4-8/h3,9,14H,1-2,4-7H2
InChIKeyUBBFDVVALIYWTF-UHFFFAOYSA-N
XLogP2.43
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.22
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclopenten-1-yl)-3-(2,2,2-trifluoroethoxy)propan-1-ol?
The IUPAC name of 1-(cyclopenten-1-yl)-3-(2,2,2-trifluoroethoxy)propan-1-ol (CID 103210259) is 1-(cyclopenten-1-yl)-3-(2,2,2-trifluoroethoxy)propan-1-ol.
What is the SMILES notation for 1-(cyclopenten-1-yl)-3-(2,2,2-trifluoroethoxy)propan-1-ol?
The canonical SMILES for 1-(cyclopenten-1-yl)-3-(2,2,2-trifluoroethoxy)propan-1-ol is OC(CCOCC(F)(F)F)C1=CCCC1.
What is the InChIKey of 1-(cyclopenten-1-yl)-3-(2,2,2-trifluoroethoxy)propan-1-ol?
The InChIKey is UBBFDVVALIYWTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3O2/c11-10(12,13)7-15-6-5-9(14)8-3-1-2-4-8/h3,9,14H,1-2,4-7H2.
What are the key properties of 1-(cyclopenten-1-yl)-3-(2,2,2-trifluoroethoxy)propan-1-ol?
1-(cyclopenten-1-yl)-3-(2,2,2-trifluoroethoxy)propan-1-ol has a molecular weight of 224.22 g/mol, XLogP of 2.43, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopenten-1-yl)-3-(2,2,2-trifluoroethoxy)propan-1-ol is sourced from PubChem (CID 103210259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).