1-cyclopentyloxy-3-(2,2,2-trifluoroethylamino)propan-2-ol

C10H18F3NO2 — CID 60632425

IUPAC1-cyclopentyloxy-3-(2,2,2-trifluoroethylamino)propan-2-ol
SMILESOC(CNCC(F)(F)F)COC1CCCC1
InChIInChI=1S/C10H18F3NO2/c11-10(12,13)7-14-5-8(15)6-16-9-3-1-2-4-9/h8-9,14-15H,1-7H2
InChIKeyIKTKYAOGQSRSGY-UHFFFAOYSA-N
MW241.25 g/mol
LogP1.46
Rot. Bonds6

About 1-cyclopentyloxy-3-(2,2,2-trifluoroethylamino)propan-2-ol

1-cyclopentyloxy-3-(2,2,2-trifluoroethylamino)propan-2-ol (PubChem CID 60632425) has the molecular formula C10H18F3NO2 and a molecular weight of 241.25 g/mol. Its IUPAC name is 1-cyclopentyloxy-3-(2,2,2-trifluoroethylamino)propan-2-ol.

Molecular Properties

Compound Name1-cyclopentyloxy-3-(2,2,2-trifluoroethylamino)propan-2-ol
PubChem CID60632425
Molecular FormulaC10H18F3NO2
Molecular Weight241.25 g/mol
Exact Mass241.13
IUPAC Name1-cyclopentyloxy-3-(2,2,2-trifluoroethylamino)propan-2-ol
SMILESOC(CNCC(F)(F)F)COC1CCCC1
InChIInChI=1S/C10H18F3NO2/c11-10(12,13)7-14-5-8(15)6-16-9-3-1-2-4-9/h8-9,14-15H,1-7H2
InChIKeyIKTKYAOGQSRSGY-UHFFFAOYSA-N
XLogP1.46
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[(3-cyclopentyloxy-2-hydroxypropyl)amino]methyl]pentan-3-ol
CID 65111381
1-cyclohexyloxy-3-[(2-methoxy-2-methylpropyl)amino]propan-2-ol
CID 104760353
2-[[(3-cyclopentyloxy-2-hydroxypropyl)amino]methyl]-2-ethylbutan-1-ol
CID 106255989
1-cyclopentyloxy-3-[(2-ethoxy-2-methylpropyl)amino]propan-2-ol
CID 114941871
1-cyclopentyloxy-3-(2-cyclopentyloxyethylamino)propan-2-ol
CID 63827682
1-[(3-cyclopentyloxy-2-hydroxypropyl)amino]-4,4-dimethylpentan-2-ol
CID 107152057
1-[(3-cyclohexyloxy-2-hydroxypropyl)amino]-2-methylpentan-2-ol
CID 106292600
1-cyclopentyl-3-(2,2,2-trifluoroethylamino)propan-2-ol
CID 103157182
2,2-difluoro-3-[[2-hydroxy-3-(4-methylcyclohexyl)oxypropyl]amino]propan-1-ol
CID 106176234
1-(4-methylcyclohexyl)oxy-3-(2,2,3,3-tetrafluoropropylamino)propan-2-ol
CID 106291617
1-cyclohexyloxy-3-(prop-2-enylamino)propan-2-ol
CID 60635341
1-cyclopentyloxy-3-(2-methoxypropylamino)propan-2-ol
CID 102697876

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyloxy-3-(2,2,2-trifluoroethylamino)propan-2-ol?
The IUPAC name of 1-cyclopentyloxy-3-(2,2,2-trifluoroethylamino)propan-2-ol (CID 60632425) is 1-cyclopentyloxy-3-(2,2,2-trifluoroethylamino)propan-2-ol.
What is the SMILES notation for 1-cyclopentyloxy-3-(2,2,2-trifluoroethylamino)propan-2-ol?
The canonical SMILES for 1-cyclopentyloxy-3-(2,2,2-trifluoroethylamino)propan-2-ol is OC(CNCC(F)(F)F)COC1CCCC1.
What is the InChIKey of 1-cyclopentyloxy-3-(2,2,2-trifluoroethylamino)propan-2-ol?
The InChIKey is IKTKYAOGQSRSGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3NO2/c11-10(12,13)7-14-5-8(15)6-16-9-3-1-2-4-9/h8-9,14-15H,1-7H2.
What are the key properties of 1-cyclopentyloxy-3-(2,2,2-trifluoroethylamino)propan-2-ol?
1-cyclopentyloxy-3-(2,2,2-trifluoroethylamino)propan-2-ol has a molecular weight of 241.25 g/mol, XLogP of 1.46, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyloxy-3-(2,2,2-trifluoroethylamino)propan-2-ol is sourced from PubChem (CID 60632425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).