1,1,1-trifluoro-2-[(2S)-1-propan-2-ylpyrrolidin-2-yl]propan-2-ol

C10H18F3NO — CID 170366282

IUPAC1,1,1-trifluoro-2-[(2S)-1-propan-2-ylpyrrolidin-2-yl]propan-2-ol
SMILESCC(C)N1CCC[C@H]1C(C)(O)C(F)(F)F
InChIInChI=1S/C10H18F3NO/c1-7(2)14-6-4-5-8(14)9(3,15)10(11,12)13/h7-8,15H,4-6H2,1-3H3/t8-,9?/m0/s1
InChIKeyBHBSUNWIPIJVJU-IENPIDJESA-N
MW225.25 g/mol
LogP2.17
Rot. Bonds2

About 1,1,1-trifluoro-2-[(2S)-1-propan-2-ylpyrrolidin-2-yl]propan-2-ol

1,1,1-trifluoro-2-[(2S)-1-propan-2-ylpyrrolidin-2-yl]propan-2-ol (PubChem CID 170366282) has the molecular formula C10H18F3NO and a molecular weight of 225.25 g/mol. Its IUPAC name is 1,1,1-trifluoro-2-[(2S)-1-propan-2-ylpyrrolidin-2-yl]propan-2-ol.

Molecular Properties

Compound Name1,1,1-trifluoro-2-[(2S)-1-propan-2-ylpyrrolidin-2-yl]propan-2-ol
PubChem CID170366282
Molecular FormulaC10H18F3NO
Molecular Weight225.25 g/mol
Exact Mass225.13
IUPAC Name1,1,1-trifluoro-2-[(2S)-1-propan-2-ylpyrrolidin-2-yl]propan-2-ol
SMILESCC(C)N1CCC[C@H]1C(C)(O)C(F)(F)F
InChIInChI=1S/C10H18F3NO/c1-7(2)14-6-4-5-8(14)9(3,15)10(11,12)13/h7-8,15H,4-6H2,1-3H3/t8-,9?/m0/s1
InChIKeyBHBSUNWIPIJVJU-IENPIDJESA-N
XLogP2.17
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(2S)-1-methylpyrrolidin-2-yl]propan-2-ol
CID 10012022
2-[(2R)-1-methylpyrrolidin-2-yl]propan-2-ol
CID 10351807
2-(1-Methylpyrrolidin-2-YL)propan-2-OL
CID 15758090
2,2,2-trifluoro-1-[(2S)-2-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]ethanone
CID 58781362
2-[Hexyl(pentyl)amino]-1-(trifluoromethyl)cyclopentan-1-ol
CID 69368116
2,2,2-trifluoro-1-[(2R)-2-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]ethanone
CID 91355109
2-[(2R)-4,4-difluoro-1-(1-methylpiperidin-4-yl)pyrrolidin-2-yl]propan-2-ol
CID 118303315
2-[4,4-Difluoro-1-(1-methylpiperidin-4-yl)pyrrolidin-2-yl]propan-2-ol
CID 123623372
3-Fluoro-1,5-di(propan-2-yl)pyrrolidin-3-ol
CID 129229274
1-Ethyl-3-fluoro-5-propan-2-ylpyrrolidin-3-ol
CID 129229375
[(2R)-4,4-difluoro-1-(3-methylbutan-2-yl)pyrrolidin-2-yl]methanol
CID 146286428
[(2R)-4,4-difluoro-1-(2,2,4,4-tetramethylpentan-3-yl)pyrrolidin-2-yl]methanol
CID 153305224

Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-2-[(2S)-1-propan-2-ylpyrrolidin-2-yl]propan-2-ol?
The IUPAC name of 1,1,1-trifluoro-2-[(2S)-1-propan-2-ylpyrrolidin-2-yl]propan-2-ol (CID 170366282) is 1,1,1-trifluoro-2-[(2S)-1-propan-2-ylpyrrolidin-2-yl]propan-2-ol.
What is the SMILES notation for 1,1,1-trifluoro-2-[(2S)-1-propan-2-ylpyrrolidin-2-yl]propan-2-ol?
The canonical SMILES for 1,1,1-trifluoro-2-[(2S)-1-propan-2-ylpyrrolidin-2-yl]propan-2-ol is CC(C)N1CCC[C@H]1C(C)(O)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-2-[(2S)-1-propan-2-ylpyrrolidin-2-yl]propan-2-ol?
The InChIKey is BHBSUNWIPIJVJU-IENPIDJESA-N. The full InChI is InChI=1S/C10H18F3NO/c1-7(2)14-6-4-5-8(14)9(3,15)10(11,12)13/h7-8,15H,4-6H2,1-3H3/t8-,9?/m0/s1.
What are the key properties of 1,1,1-trifluoro-2-[(2S)-1-propan-2-ylpyrrolidin-2-yl]propan-2-ol?
1,1,1-trifluoro-2-[(2S)-1-propan-2-ylpyrrolidin-2-yl]propan-2-ol has a molecular weight of 225.25 g/mol, XLogP of 2.17, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-2-[(2S)-1-propan-2-ylpyrrolidin-2-yl]propan-2-ol is sourced from PubChem (CID 170366282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).