1-[[3-(2,2,2-trifluoroethoxy)propylamino]methyl]cyclopentan-1-ol

C11H20F3NO2 — CID 65111635

IUPAC1-[[3-(2,2,2-trifluoroethoxy)propylamino]methyl]cyclopentan-1-ol
SMILESOC1(CNCCCOCC(F)(F)F)CCCC1
InChIInChI=1S/C11H20F3NO2/c12-11(13,14)9-17-7-3-6-15-8-10(16)4-1-2-5-10/h15-16H,1-9H2
InChIKeyDJSQHXSTDHGWGJ-UHFFFAOYSA-N
MW255.28 g/mol
LogP1.85
Rot. Bonds7

About 1-[[3-(2,2,2-trifluoroethoxy)propylamino]methyl]cyclopentan-1-ol

1-[[3-(2,2,2-trifluoroethoxy)propylamino]methyl]cyclopentan-1-ol (PubChem CID 65111635) has the molecular formula C11H20F3NO2 and a molecular weight of 255.28 g/mol. Its IUPAC name is 1-[[3-(2,2,2-trifluoroethoxy)propylamino]methyl]cyclopentan-1-ol.

Molecular Properties

Compound Name1-[[3-(2,2,2-trifluoroethoxy)propylamino]methyl]cyclopentan-1-ol
PubChem CID65111635
Molecular FormulaC11H20F3NO2
Molecular Weight255.28 g/mol
Exact Mass255.14
IUPAC Name1-[[3-(2,2,2-trifluoroethoxy)propylamino]methyl]cyclopentan-1-ol
SMILESOC1(CNCCCOCC(F)(F)F)CCCC1
InChIInChI=1S/C11H20F3NO2/c12-11(13,14)9-17-7-3-6-15-8-10(16)4-1-2-5-10/h15-16H,1-9H2
InChIKeyDJSQHXSTDHGWGJ-UHFFFAOYSA-N
XLogP1.85
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-[[3-(2,2,2-trifluoroethoxy)propylamino]methyl]cyclopentan-1-ol?
The IUPAC name of 1-[[3-(2,2,2-trifluoroethoxy)propylamino]methyl]cyclopentan-1-ol (CID 65111635) is 1-[[3-(2,2,2-trifluoroethoxy)propylamino]methyl]cyclopentan-1-ol.
What is the SMILES notation for 1-[[3-(2,2,2-trifluoroethoxy)propylamino]methyl]cyclopentan-1-ol?
The canonical SMILES for 1-[[3-(2,2,2-trifluoroethoxy)propylamino]methyl]cyclopentan-1-ol is OC1(CNCCCOCC(F)(F)F)CCCC1.
What is the InChIKey of 1-[[3-(2,2,2-trifluoroethoxy)propylamino]methyl]cyclopentan-1-ol?
The InChIKey is DJSQHXSTDHGWGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3NO2/c12-11(13,14)9-17-7-3-6-15-8-10(16)4-1-2-5-10/h15-16H,1-9H2.
What are the key properties of 1-[[3-(2,2,2-trifluoroethoxy)propylamino]methyl]cyclopentan-1-ol?
1-[[3-(2,2,2-trifluoroethoxy)propylamino]methyl]cyclopentan-1-ol has a molecular weight of 255.28 g/mol, XLogP of 1.85, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-(2,2,2-trifluoroethoxy)propylamino]methyl]cyclopentan-1-ol is sourced from PubChem (CID 65111635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).