1-cyclopentyl-3-[2,2-difluoroethyl(methyl)amino]propan-2-ol

C11H21F2NO — CID 103160203

IUPAC1-cyclopentyl-3-[2,2-difluoroethyl(methyl)amino]propan-2-ol
SMILESCN(CC(F)F)CC(O)CC1CCCC1
InChIInChI=1S/C11H21F2NO/c1-14(8-11(12)13)7-10(15)6-9-4-2-3-5-9/h9-11,15H,2-8H2,1H3
InChIKeyIRUFXYMOIAURHE-UHFFFAOYSA-N
MW221.29 g/mol
LogP2.12
Rot. Bonds6

About 1-cyclopentyl-3-[2,2-difluoroethyl(methyl)amino]propan-2-ol

1-cyclopentyl-3-[2,2-difluoroethyl(methyl)amino]propan-2-ol (PubChem CID 103160203) has the molecular formula C11H21F2NO and a molecular weight of 221.29 g/mol. Its IUPAC name is 1-cyclopentyl-3-[2,2-difluoroethyl(methyl)amino]propan-2-ol.

Molecular Properties

Compound Name1-cyclopentyl-3-[2,2-difluoroethyl(methyl)amino]propan-2-ol
PubChem CID103160203
Molecular FormulaC11H21F2NO
Molecular Weight221.29 g/mol
Exact Mass221.16
IUPAC Name1-cyclopentyl-3-[2,2-difluoroethyl(methyl)amino]propan-2-ol
SMILESCN(CC(F)F)CC(O)CC1CCCC1
InChIInChI=1S/C11H21F2NO/c1-14(8-11(12)13)7-10(15)6-9-4-2-3-5-9/h9-11,15H,2-8H2,1H3
InChIKeyIRUFXYMOIAURHE-UHFFFAOYSA-N
XLogP2.12
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.29
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Bis(2-hydroxyethyl)methyl[4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,15,15,15-tetracosafluoro-2-hydroxy-14-(trifluoromethyl)pentadecyl]ammonium iodide
CID 21149800
[Bis(2-hydroxyethyl)][2-hydroxy-4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,13,13,13-icosafluoro-12-(trifluoromethyl)tridecan-1-yl]methylammonium iodide
CID 21149802
(4,4,5,5,6,6,7,7,8,8,9,9,10,11,11,11-Hexadecafluoro-2-hydroxy-10-(trifluoromethyl)undecyl)bis(2-hydroxyethyl)methylammonium iodide
CID 21149804
[4,4,5,5,6,6,7,7,8,8,9,9,10,11,11,11-Hexadecafluoro-2-hydroxy-10-(trifluoromethyl)undecyl]-trimethylazanium
CID 3018976
Bis(2-hydroxyethyl)-methyl-[4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,15,15,15-tetracosafluoro-2-hydroxy-14-(trifluoromethyl)pentadecyl]azanium
CID 21149801
33WE9M2Gsl
CID 21149803
[4,4,5,5,6,6,7,7,8,8,9,9,10,11,11,11-Hexadecafluoro-2-hydroxy-10-(trifluoromethyl)undecyl]-bis(2-hydroxyethyl)-methylazanium
CID 21149805
[3-(Fluoromethyl)-2-hydroxyheptyl]-trimethylazanium
CID 87169846
1-(3,3-Difluorocyclopentyl)-2-(dimethylamino)ethanol
CID 134603272
Diethyl-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluoro-2-hydroxydecyl)-methylazanium
CID 13507558
4-Propyl-2-[propyl(2,2,2-trifluoroethyl)amino]cyclohexan-1-ol
CID 61764772
2-[Propan-2-yl(2,2,2-trifluoroethyl)amino]-4-propylcyclohexan-1-ol
CID 61764957

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-3-[2,2-difluoroethyl(methyl)amino]propan-2-ol?
The IUPAC name of 1-cyclopentyl-3-[2,2-difluoroethyl(methyl)amino]propan-2-ol (CID 103160203) is 1-cyclopentyl-3-[2,2-difluoroethyl(methyl)amino]propan-2-ol.
What is the SMILES notation for 1-cyclopentyl-3-[2,2-difluoroethyl(methyl)amino]propan-2-ol?
The canonical SMILES for 1-cyclopentyl-3-[2,2-difluoroethyl(methyl)amino]propan-2-ol is CN(CC(F)F)CC(O)CC1CCCC1.
What is the InChIKey of 1-cyclopentyl-3-[2,2-difluoroethyl(methyl)amino]propan-2-ol?
The InChIKey is IRUFXYMOIAURHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21F2NO/c1-14(8-11(12)13)7-10(15)6-9-4-2-3-5-9/h9-11,15H,2-8H2,1H3.
What are the key properties of 1-cyclopentyl-3-[2,2-difluoroethyl(methyl)amino]propan-2-ol?
1-cyclopentyl-3-[2,2-difluoroethyl(methyl)amino]propan-2-ol has a molecular weight of 221.29 g/mol, XLogP of 2.12, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-3-[2,2-difluoroethyl(methyl)amino]propan-2-ol is sourced from PubChem (CID 103160203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).