1-cyclopentyl-2-(3,3,3-trifluoropropoxy)ethanol

C10H17F3O2 — CID 104753766

IUPAC1-cyclopentyl-2-(3,3,3-trifluoropropoxy)ethanol
SMILESOC(COCCC(F)(F)F)C1CCCC1
InChIInChI=1S/C10H17F3O2/c11-10(12,13)5-6-15-7-9(14)8-3-1-2-4-8/h8-9,14H,1-7H2
InChIKeyOGGQGWZQTAWESP-UHFFFAOYSA-N
MW226.24 g/mol
LogP2.51
Rot. Bonds5

About 1-cyclopentyl-2-(3,3,3-trifluoropropoxy)ethanol

1-cyclopentyl-2-(3,3,3-trifluoropropoxy)ethanol (PubChem CID 104753766) has the molecular formula C10H17F3O2 and a molecular weight of 226.24 g/mol. Its IUPAC name is 1-cyclopentyl-2-(3,3,3-trifluoropropoxy)ethanol.

Molecular Properties

Compound Name1-cyclopentyl-2-(3,3,3-trifluoropropoxy)ethanol
PubChem CID104753766
Molecular FormulaC10H17F3O2
Molecular Weight226.24 g/mol
Exact Mass226.12
IUPAC Name1-cyclopentyl-2-(3,3,3-trifluoropropoxy)ethanol
SMILESOC(COCCC(F)(F)F)C1CCCC1
InChIInChI=1S/C10H17F3O2/c11-10(12,13)5-6-15-7-9(14)8-3-1-2-4-8/h8-9,14H,1-7H2
InChIKeyOGGQGWZQTAWESP-UHFFFAOYSA-N
XLogP2.51
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.24
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-2-(3,3,3-trifluoropropoxy)ethanol?
The IUPAC name of 1-cyclopentyl-2-(3,3,3-trifluoropropoxy)ethanol (CID 104753766) is 1-cyclopentyl-2-(3,3,3-trifluoropropoxy)ethanol.
What is the SMILES notation for 1-cyclopentyl-2-(3,3,3-trifluoropropoxy)ethanol?
The canonical SMILES for 1-cyclopentyl-2-(3,3,3-trifluoropropoxy)ethanol is OC(COCCC(F)(F)F)C1CCCC1.
What is the InChIKey of 1-cyclopentyl-2-(3,3,3-trifluoropropoxy)ethanol?
The InChIKey is OGGQGWZQTAWESP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3O2/c11-10(12,13)5-6-15-7-9(14)8-3-1-2-4-8/h8-9,14H,1-7H2.
What are the key properties of 1-cyclopentyl-2-(3,3,3-trifluoropropoxy)ethanol?
1-cyclopentyl-2-(3,3,3-trifluoropropoxy)ethanol has a molecular weight of 226.24 g/mol, XLogP of 2.51, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-2-(3,3,3-trifluoropropoxy)ethanol is sourced from PubChem (CID 104753766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).