[2-[2-(trifluoromethoxy)ethylamino]cyclopentyl]methanol

C9H16F3NO2 — CID 106361003

IUPAC[2-[2-(trifluoromethoxy)ethylamino]cyclopentyl]methanol
SMILESOCC1CCCC1NCCOC(F)(F)F
InChIInChI=1S/C9H16F3NO2/c10-9(11,12)15-5-4-13-8-3-1-2-7(8)6-14/h7-8,13-14H,1-6H2
InChIKeyXZLIBDDCDWQIMH-UHFFFAOYSA-N
MW227.23 g/mol
LogP1.27
Rot. Bonds5

About [2-[2-(trifluoromethoxy)ethylamino]cyclopentyl]methanol

[2-[2-(trifluoromethoxy)ethylamino]cyclopentyl]methanol (PubChem CID 106361003) has the molecular formula C9H16F3NO2 and a molecular weight of 227.23 g/mol. Its IUPAC name is [2-[2-(trifluoromethoxy)ethylamino]cyclopentyl]methanol.

Molecular Properties

Compound Name[2-[2-(trifluoromethoxy)ethylamino]cyclopentyl]methanol
PubChem CID106361003
Molecular FormulaC9H16F3NO2
Molecular Weight227.23 g/mol
Exact Mass227.11
IUPAC Name[2-[2-(trifluoromethoxy)ethylamino]cyclopentyl]methanol
SMILESOCC1CCCC1NCCOC(F)(F)F
InChIInChI=1S/C9H16F3NO2/c10-9(11,12)15-5-4-13-8-3-1-2-7(8)6-14/h7-8,13-14H,1-6H2
InChIKeyXZLIBDDCDWQIMH-UHFFFAOYSA-N
XLogP1.27
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.23
LogP ≤ 51.27
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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Related Compounds

1,1,1-Trifluoro-3-[[2-(hydroxymethyl)-2-methylcyclopentyl]amino]propan-2-ol
CID 102562975
1,1,1-Trifluoro-3-[[2-(hydroxymethyl)-2-methylcyclopentyl]amino]-2-methylpropan-2-ol
CID 136540126
[1-(2,2,2-Trifluoroethylamino)cyclopentyl]methanol
CID 61045463
3-Methyl-2-(2,2,2-trifluoroethylamino)hexan-1-ol
CID 61965064
2-Cyclopentyl-2-(2,2,2-trifluoroethylamino)ethanol
CID 62071436
[1-[3-(2,2,2-Trifluoroethoxy)propylamino]cyclopentyl]methanol
CID 62518634
[1-[2-(2,2,2-Trifluoroethoxy)ethylamino]cyclopentyl]methanol
CID 62518995
[1-(2,2-Difluoroethylamino)cyclopentyl]methanol
CID 62519180
1,1,1-Trifluoro-3-[[1-(hydroxymethyl)cyclopentyl]amino]propan-2-ol
CID 63900667
[1-(3,3,3-Trifluoropropylamino)cyclopentyl]methanol
CID 64555017
4-Methyl-2-[2-(trifluoromethoxy)ethylamino]pentan-1-ol
CID 65803846
[1-[2-(Trifluoromethoxy)ethylamino]cyclopentyl]methanol
CID 65805401

Frequently Asked Questions

What is the IUPAC name of [2-[2-(trifluoromethoxy)ethylamino]cyclopentyl]methanol?
The IUPAC name of [2-[2-(trifluoromethoxy)ethylamino]cyclopentyl]methanol (CID 106361003) is [2-[2-(trifluoromethoxy)ethylamino]cyclopentyl]methanol.
What is the SMILES notation for [2-[2-(trifluoromethoxy)ethylamino]cyclopentyl]methanol?
The canonical SMILES for [2-[2-(trifluoromethoxy)ethylamino]cyclopentyl]methanol is OCC1CCCC1NCCOC(F)(F)F.
What is the InChIKey of [2-[2-(trifluoromethoxy)ethylamino]cyclopentyl]methanol?
The InChIKey is XZLIBDDCDWQIMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F3NO2/c10-9(11,12)15-5-4-13-8-3-1-2-7(8)6-14/h7-8,13-14H,1-6H2.
What are the key properties of [2-[2-(trifluoromethoxy)ethylamino]cyclopentyl]methanol?
[2-[2-(trifluoromethoxy)ethylamino]cyclopentyl]methanol has a molecular weight of 227.23 g/mol, XLogP of 1.27, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-(trifluoromethoxy)ethylamino]cyclopentyl]methanol is sourced from PubChem (CID 106361003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).