1-cyclopentyl-3-[2-(2,2-difluoroethoxy)ethylamino]propan-2-ol

C12H23F2NO2 — CID 114127427

IUPAC1-cyclopentyl-3-[2-(2,2-difluoroethoxy)ethylamino]propan-2-ol
SMILESOC(CNCCOCC(F)F)CC1CCCC1
InChIInChI=1S/C12H23F2NO2/c13-12(14)9-17-6-5-15-8-11(16)7-10-3-1-2-4-10/h10-12,15-16H,1-9H2
InChIKeyJSHGARMBHMDQAA-UHFFFAOYSA-N
MW251.32 g/mol
LogP1.80
Rot. Bonds9

About 1-cyclopentyl-3-[2-(2,2-difluoroethoxy)ethylamino]propan-2-ol

1-cyclopentyl-3-[2-(2,2-difluoroethoxy)ethylamino]propan-2-ol (PubChem CID 114127427) has the molecular formula C12H23F2NO2 and a molecular weight of 251.32 g/mol. Its IUPAC name is 1-cyclopentyl-3-[2-(2,2-difluoroethoxy)ethylamino]propan-2-ol.

Molecular Properties

Compound Name1-cyclopentyl-3-[2-(2,2-difluoroethoxy)ethylamino]propan-2-ol
PubChem CID114127427
Molecular FormulaC12H23F2NO2
Molecular Weight251.32 g/mol
Exact Mass251.17
IUPAC Name1-cyclopentyl-3-[2-(2,2-difluoroethoxy)ethylamino]propan-2-ol
SMILESOC(CNCCOCC(F)F)CC1CCCC1
InChIInChI=1S/C12H23F2NO2/c13-12(14)9-17-6-5-15-8-11(16)7-10-3-1-2-4-10/h10-12,15-16H,1-9H2
InChIKeyJSHGARMBHMDQAA-UHFFFAOYSA-N
XLogP1.80
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.32
LogP ≤ 51.80
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

6-(Ethylaminomethyl)-2,3-difluoro-2,5-dimethyloxan-4-ol
CID 91490285
1-[[2-(2,2,2-Trifluoroethoxy)ethylamino]methyl]cycloheptan-1-ol
CID 60728909
2-Cyclopentyl-2-(2,2,2-trifluoroethylamino)ethanol
CID 62071436
[1-[2-(2,2,2-Trifluoroethoxy)ethylamino]cyclopentyl]methanol
CID 62518995
1,1,1-Trifluoro-3-[[1-(hydroxymethyl)cyclopentyl]amino]propan-2-ol
CID 63900667
2-[[2-(2,2,2-Trifluoroethoxy)ethylamino]methyl]cyclohexan-1-ol
CID 64911191
1-[[2-(2,2,2-Trifluoroethoxy)ethylamino]methyl]cyclopentan-1-ol
CID 65109102
1-[[(3,3,3-Trifluoro-2-hydroxypropyl)amino]methyl]cyclopentan-1-ol
CID 65111126
2-[[2-(Trifluoromethoxy)ethylamino]methyl]cyclohexan-1-ol
CID 65804520
[1-[2-(Trifluoromethoxy)ethylamino]cyclopentyl]methanol
CID 65805401
1-[[2-(Trifluoromethoxy)ethylamino]methyl]cyclopentan-1-ol
CID 65805407
2-[[(3,3,3-Trifluoro-2-hydroxypropyl)amino]methyl]cyclopentan-1-ol
CID 65835979

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-3-[2-(2,2-difluoroethoxy)ethylamino]propan-2-ol?
The IUPAC name of 1-cyclopentyl-3-[2-(2,2-difluoroethoxy)ethylamino]propan-2-ol (CID 114127427) is 1-cyclopentyl-3-[2-(2,2-difluoroethoxy)ethylamino]propan-2-ol.
What is the SMILES notation for 1-cyclopentyl-3-[2-(2,2-difluoroethoxy)ethylamino]propan-2-ol?
The canonical SMILES for 1-cyclopentyl-3-[2-(2,2-difluoroethoxy)ethylamino]propan-2-ol is OC(CNCCOCC(F)F)CC1CCCC1.
What is the InChIKey of 1-cyclopentyl-3-[2-(2,2-difluoroethoxy)ethylamino]propan-2-ol?
The InChIKey is JSHGARMBHMDQAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23F2NO2/c13-12(14)9-17-6-5-15-8-11(16)7-10-3-1-2-4-10/h10-12,15-16H,1-9H2.
What are the key properties of 1-cyclopentyl-3-[2-(2,2-difluoroethoxy)ethylamino]propan-2-ol?
1-cyclopentyl-3-[2-(2,2-difluoroethoxy)ethylamino]propan-2-ol has a molecular weight of 251.32 g/mol, XLogP of 1.80, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-3-[2-(2,2-difluoroethoxy)ethylamino]propan-2-ol is sourced from PubChem (CID 114127427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).