2-[2-(1,1,1-trifluoropropan-2-yloxy)ethyl]cyclopentan-1-ol

C10H17F3O2 — CID 79564284

IUPAC2-[2-(1,1,1-trifluoropropan-2-yloxy)ethyl]cyclopentan-1-ol
SMILESCC(OCCC1CCCC1O)C(F)(F)F
InChIInChI=1S/C10H17F3O2/c1-7(10(11,12)13)15-6-5-8-3-2-4-9(8)14/h7-9,14H,2-6H2,1H3
InChIKeyHDOYGSROIRNRNE-UHFFFAOYSA-N
MW226.24 g/mol
LogP2.50
Rot. Bonds4

About 2-[2-(1,1,1-trifluoropropan-2-yloxy)ethyl]cyclopentan-1-ol

2-[2-(1,1,1-trifluoropropan-2-yloxy)ethyl]cyclopentan-1-ol (PubChem CID 79564284) has the molecular formula C10H17F3O2 and a molecular weight of 226.24 g/mol. Its IUPAC name is 2-[2-(1,1,1-trifluoropropan-2-yloxy)ethyl]cyclopentan-1-ol.

Molecular Properties

Compound Name2-[2-(1,1,1-trifluoropropan-2-yloxy)ethyl]cyclopentan-1-ol
PubChem CID79564284
Molecular FormulaC10H17F3O2
Molecular Weight226.24 g/mol
Exact Mass226.12
IUPAC Name2-[2-(1,1,1-trifluoropropan-2-yloxy)ethyl]cyclopentan-1-ol
SMILESCC(OCCC1CCCC1O)C(F)(F)F
InChIInChI=1S/C10H17F3O2/c1-7(10(11,12)13)15-6-5-8-3-2-4-9(8)14/h7-9,14H,2-6H2,1H3
InChIKeyHDOYGSROIRNRNE-UHFFFAOYSA-N
XLogP2.50
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.24
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(1,1,1-trifluoropropan-2-yloxy)ethyl]cyclopentan-1-ol?
The IUPAC name of 2-[2-(1,1,1-trifluoropropan-2-yloxy)ethyl]cyclopentan-1-ol (CID 79564284) is 2-[2-(1,1,1-trifluoropropan-2-yloxy)ethyl]cyclopentan-1-ol.
What is the SMILES notation for 2-[2-(1,1,1-trifluoropropan-2-yloxy)ethyl]cyclopentan-1-ol?
The canonical SMILES for 2-[2-(1,1,1-trifluoropropan-2-yloxy)ethyl]cyclopentan-1-ol is CC(OCCC1CCCC1O)C(F)(F)F.
What is the InChIKey of 2-[2-(1,1,1-trifluoropropan-2-yloxy)ethyl]cyclopentan-1-ol?
The InChIKey is HDOYGSROIRNRNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3O2/c1-7(10(11,12)13)15-6-5-8-3-2-4-9(8)14/h7-9,14H,2-6H2,1H3.
What are the key properties of 2-[2-(1,1,1-trifluoropropan-2-yloxy)ethyl]cyclopentan-1-ol?
2-[2-(1,1,1-trifluoropropan-2-yloxy)ethyl]cyclopentan-1-ol has a molecular weight of 226.24 g/mol, XLogP of 2.50, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1,1,1-trifluoropropan-2-yloxy)ethyl]cyclopentan-1-ol is sourced from PubChem (CID 79564284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).