1-cyclopentyl-3-[[1-(trifluoromethyl)cyclopropyl]amino]propan-2-ol

C12H20F3NO — CID 106212098

IUPAC1-cyclopentyl-3-[[1-(trifluoromethyl)cyclopropyl]amino]propan-2-ol
SMILESOC(CNC1(C(F)(F)F)CC1)CC1CCCC1
InChIInChI=1S/C12H20F3NO/c13-12(14,15)11(5-6-11)16-8-10(17)7-9-3-1-2-4-9/h9-10,16-17H,1-8H2
InChIKeyQSKWOBSPLPCGSS-UHFFFAOYSA-N
MW251.29 g/mol
LogP2.61
Rot. Bonds5

About 1-cyclopentyl-3-[[1-(trifluoromethyl)cyclopropyl]amino]propan-2-ol

1-cyclopentyl-3-[[1-(trifluoromethyl)cyclopropyl]amino]propan-2-ol (PubChem CID 106212098) has the molecular formula C12H20F3NO and a molecular weight of 251.29 g/mol. Its IUPAC name is 1-cyclopentyl-3-[[1-(trifluoromethyl)cyclopropyl]amino]propan-2-ol.

Molecular Properties

Compound Name1-cyclopentyl-3-[[1-(trifluoromethyl)cyclopropyl]amino]propan-2-ol
PubChem CID106212098
Molecular FormulaC12H20F3NO
Molecular Weight251.29 g/mol
Exact Mass251.15
IUPAC Name1-cyclopentyl-3-[[1-(trifluoromethyl)cyclopropyl]amino]propan-2-ol
SMILESOC(CNC1(C(F)(F)F)CC1)CC1CCCC1
InChIInChI=1S/C12H20F3NO/c13-12(14,15)11(5-6-11)16-8-10(17)7-9-3-1-2-4-9/h9-10,16-17H,1-8H2
InChIKeyQSKWOBSPLPCGSS-UHFFFAOYSA-N
XLogP2.61
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[1-(2,2,2-Trifluoroethylamino)cyclopentyl]methanol
CID 61045463
8-(2,2-Difluoroethyl)-4-azaspiro[2.5]octan-6-ol
CID 123504573
8-(Difluoromethyl)-4-azaspiro[2.5]octan-6-ol
CID 144874039
8-(2,2,2-Trifluoroethyl)-4-azaspiro[2.5]octan-6-ol
CID 144874079
8-(Trifluoromethyl)-4-azaspiro[2.5]octan-6-ol
CID 144874092
3,3-Difluoro-1-azaspiro[4.4]nonan-4-OL
CID 171397171
3,3-Difluoro-1-azaspiro[4.5]decan-4-OL
CID 171397172
3,3,7,7-Tetrafluoro-1-azaspiro[4.4]nonan-4-OL
CID 171397174
3,3,9,9-Tetrafluoro-1-azaspiro[4.4]nonan-4-ol
CID 171479099
2-Cyclopentyl-4,4-difluoropyrrolidin-3-ol
CID 171479105
3,3,7,8-Tetrafluoro-1-azaspiro[4.4]nonan-4-ol
CID 176013857
9,9-Difluoro-6-azaspiro[4.5]decan-10-ol;hydrochloride
CID 176013871

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-3-[[1-(trifluoromethyl)cyclopropyl]amino]propan-2-ol?
The IUPAC name of 1-cyclopentyl-3-[[1-(trifluoromethyl)cyclopropyl]amino]propan-2-ol (CID 106212098) is 1-cyclopentyl-3-[[1-(trifluoromethyl)cyclopropyl]amino]propan-2-ol.
What is the SMILES notation for 1-cyclopentyl-3-[[1-(trifluoromethyl)cyclopropyl]amino]propan-2-ol?
The canonical SMILES for 1-cyclopentyl-3-[[1-(trifluoromethyl)cyclopropyl]amino]propan-2-ol is OC(CNC1(C(F)(F)F)CC1)CC1CCCC1.
What is the InChIKey of 1-cyclopentyl-3-[[1-(trifluoromethyl)cyclopropyl]amino]propan-2-ol?
The InChIKey is QSKWOBSPLPCGSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20F3NO/c13-12(14,15)11(5-6-11)16-8-10(17)7-9-3-1-2-4-9/h9-10,16-17H,1-8H2.
What are the key properties of 1-cyclopentyl-3-[[1-(trifluoromethyl)cyclopropyl]amino]propan-2-ol?
1-cyclopentyl-3-[[1-(trifluoromethyl)cyclopropyl]amino]propan-2-ol has a molecular weight of 251.29 g/mol, XLogP of 2.61, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-3-[[1-(trifluoromethyl)cyclopropyl]amino]propan-2-ol is sourced from PubChem (CID 106212098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).