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

C11H20F3NO2 — CID 114093395

IUPAC3-[(3-cyclopentyl-2-hydroxypropyl)amino]-1,1,1-trifluoropropan-2-ol
SMILESOC(CNCC(O)C(F)(F)F)CC1CCCC1
InChIInChI=1S/C11H20F3NO2/c12-11(13,14)10(17)7-15-6-9(16)5-8-3-1-2-4-8/h8-10,15-17H,1-7H2
InChIKeyCQGWTZATFUGEGQ-UHFFFAOYSA-N
MW255.28 g/mol
LogP1.44
Rot. Bonds6

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

3-[(3-cyclopentyl-2-hydroxypropyl)amino]-1,1,1-trifluoropropan-2-ol (PubChem CID 114093395) has the molecular formula C11H20F3NO2 and a molecular weight of 255.28 g/mol. Its IUPAC name is 3-[(3-cyclopentyl-2-hydroxypropyl)amino]-1,1,1-trifluoropropan-2-ol.

Molecular Properties

Compound Name3-[(3-cyclopentyl-2-hydroxypropyl)amino]-1,1,1-trifluoropropan-2-ol
PubChem CID114093395
Molecular FormulaC11H20F3NO2
Molecular Weight255.28 g/mol
Exact Mass255.14
IUPAC Name3-[(3-cyclopentyl-2-hydroxypropyl)amino]-1,1,1-trifluoropropan-2-ol
SMILESOC(CNCC(O)C(F)(F)F)CC1CCCC1
InChIInChI=1S/C11H20F3NO2/c12-11(13,14)10(17)7-15-6-9(16)5-8-3-1-2-4-8/h8-10,15-17H,1-7H2
InChIKeyCQGWTZATFUGEGQ-UHFFFAOYSA-N
XLogP1.44
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 51.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-Amino-4-cyclopentyl-1,1,1-trifluorobutan-2-ol
CID 69526801
2-Cyclopentyl-4,4-difluoropyrrolidin-3-ol
CID 171479105
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
2-Cyclohexyl-2-(2,2,2-trifluoroethylamino)ethanol
CID 61046571
2-Cyclopentyl-2-(2,2,2-trifluoroethylamino)ethanol
CID 62071436
[1-(2,2,2-Trifluoroethylamino)cyclododecyl]methanol
CID 63427944
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
3-(Cyclopentylmethylamino)-1,1,1-trifluoropropan-2-ol
CID 63901061
[1-(3,3,3-Trifluoropropylamino)cyclopentyl]methanol
CID 64555017
2-Cyclopentyl-2-(2,2,2-trifluoroethylamino)propan-1-ol
CID 64759717

Frequently Asked Questions

What is the IUPAC name of 3-[(3-cyclopentyl-2-hydroxypropyl)amino]-1,1,1-trifluoropropan-2-ol?
The IUPAC name of 3-[(3-cyclopentyl-2-hydroxypropyl)amino]-1,1,1-trifluoropropan-2-ol (CID 114093395) is 3-[(3-cyclopentyl-2-hydroxypropyl)amino]-1,1,1-trifluoropropan-2-ol.
What is the SMILES notation for 3-[(3-cyclopentyl-2-hydroxypropyl)amino]-1,1,1-trifluoropropan-2-ol?
The canonical SMILES for 3-[(3-cyclopentyl-2-hydroxypropyl)amino]-1,1,1-trifluoropropan-2-ol is OC(CNCC(O)C(F)(F)F)CC1CCCC1.
What is the InChIKey of 3-[(3-cyclopentyl-2-hydroxypropyl)amino]-1,1,1-trifluoropropan-2-ol?
The InChIKey is CQGWTZATFUGEGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3NO2/c12-11(13,14)10(17)7-15-6-9(16)5-8-3-1-2-4-8/h8-10,15-17H,1-7H2.
What are the key properties of 3-[(3-cyclopentyl-2-hydroxypropyl)amino]-1,1,1-trifluoropropan-2-ol?
3-[(3-cyclopentyl-2-hydroxypropyl)amino]-1,1,1-trifluoropropan-2-ol has a molecular weight of 255.28 g/mol, XLogP of 1.44, 6 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]-1,1,1-trifluoropropan-2-ol is sourced from PubChem (CID 114093395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).