3-[(3-cyclopentyl-2-hydroxypropyl)amino]-2,2-difluoropropan-1-ol

C11H21F2NO2 — CID 106176435

IUPAC3-[(3-cyclopentyl-2-hydroxypropyl)amino]-2,2-difluoropropan-1-ol
SMILESOCC(F)(F)CNCC(O)CC1CCCC1
InChIInChI=1S/C11H21F2NO2/c12-11(13,8-15)7-14-6-10(16)5-9-3-1-2-4-9/h9-10,14-16H,1-8H2
InChIKeyAUNBJELLVKLTDD-UHFFFAOYSA-N
MW237.29 g/mol
LogP1.14
Rot. Bonds7

About 3-[(3-cyclopentyl-2-hydroxypropyl)amino]-2,2-difluoropropan-1-ol

3-[(3-cyclopentyl-2-hydroxypropyl)amino]-2,2-difluoropropan-1-ol (PubChem CID 106176435) has the molecular formula C11H21F2NO2 and a molecular weight of 237.29 g/mol. Its IUPAC name is 3-[(3-cyclopentyl-2-hydroxypropyl)amino]-2,2-difluoropropan-1-ol.

Molecular Properties

Compound Name3-[(3-cyclopentyl-2-hydroxypropyl)amino]-2,2-difluoropropan-1-ol
PubChem CID106176435
Molecular FormulaC11H21F2NO2
Molecular Weight237.29 g/mol
Exact Mass237.15
IUPAC Name3-[(3-cyclopentyl-2-hydroxypropyl)amino]-2,2-difluoropropan-1-ol
SMILESOCC(F)(F)CNCC(O)CC1CCCC1
InChIInChI=1S/C11H21F2NO2/c12-11(13,8-15)7-14-6-10(16)5-9-3-1-2-4-9/h9-10,14-16H,1-8H2
InChIKeyAUNBJELLVKLTDD-UHFFFAOYSA-N
XLogP1.14
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.29
LogP ≤ 51.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3,3-Difluoro-1-azaspiro[4.4]nonan-4-OL
CID 171397171
2-Cyclopentyl-4,4-difluoropyrrolidin-3-ol
CID 171479105
1-(3,3-Difluorocyclopentyl)-2-piperidin-2-ylethanol
CID 177970849
1-[(1R)-3,3-difluorocyclopentyl]-2-piperidin-2-ylethanol
CID 177970939
1-[(1S)-3,3-difluorocyclopentyl]-2-piperidin-2-ylethanol
CID 177971208
(4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,13-Henicosafluoro-2-hydroxytridecyl)-[4-hydroxy-2-(hydroxymethyl)butyl]azanium iodide
CID 3022248
2-[[(4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,13-Henicosafluoro-2-hydroxytridecyl)amino]methyl]butane-1,4-diol
CID 3022249
Bis(2-hydroxyethyl)-[5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,14,14,14-icosafluoro-3-hydroxy-13-(trifluoromethyl)tetradecyl]azanium iodide
CID 16206034
2-Cyclopentyl-2-(2,2,2-trifluoroethylamino)ethanol
CID 62071436
3-(2-Cyclopentylethylamino)-1,1,1-trifluoropropan-2-ol
CID 63900446
1,1,1-Trifluoro-3-[[1-(hydroxymethyl)cyclopentyl]amino]propan-2-ol
CID 63900667
1,1,1-Trifluoro-3-[[1-(hydroxymethyl)cyclohexyl]amino]propan-2-ol
CID 63900669

Frequently Asked Questions

What is the IUPAC name of 3-[(3-cyclopentyl-2-hydroxypropyl)amino]-2,2-difluoropropan-1-ol?
The IUPAC name of 3-[(3-cyclopentyl-2-hydroxypropyl)amino]-2,2-difluoropropan-1-ol (CID 106176435) is 3-[(3-cyclopentyl-2-hydroxypropyl)amino]-2,2-difluoropropan-1-ol.
What is the SMILES notation for 3-[(3-cyclopentyl-2-hydroxypropyl)amino]-2,2-difluoropropan-1-ol?
The canonical SMILES for 3-[(3-cyclopentyl-2-hydroxypropyl)amino]-2,2-difluoropropan-1-ol is OCC(F)(F)CNCC(O)CC1CCCC1.
What is the InChIKey of 3-[(3-cyclopentyl-2-hydroxypropyl)amino]-2,2-difluoropropan-1-ol?
The InChIKey is AUNBJELLVKLTDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21F2NO2/c12-11(13,8-15)7-14-6-10(16)5-9-3-1-2-4-9/h9-10,14-16H,1-8H2.
What are the key properties of 3-[(3-cyclopentyl-2-hydroxypropyl)amino]-2,2-difluoropropan-1-ol?
3-[(3-cyclopentyl-2-hydroxypropyl)amino]-2,2-difluoropropan-1-ol has a molecular weight of 237.29 g/mol, XLogP of 1.14, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-cyclopentyl-2-hydroxypropyl)amino]-2,2-difluoropropan-1-ol is sourced from PubChem (CID 106176435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).