1,1,1-trifluoro-3-(3-methylpyrrolidin-1-yl)propan-2-ol

C8H14F3NO — CID 63900193

IUPAC1,1,1-trifluoro-3-(3-methylpyrrolidin-1-yl)propan-2-ol
SMILESCC1CCN(CC(O)C(F)(F)F)C1
InChIInChI=1S/C8H14F3NO/c1-6-2-3-12(4-6)5-7(13)8(9,10)11/h6-7,13H,2-5H2,1H3
InChIKeyLURGNSZBMOXSTG-UHFFFAOYSA-N
MW197.20 g/mol
LogP1.25
Rot. Bonds2

About 1,1,1-trifluoro-3-(3-methylpyrrolidin-1-yl)propan-2-ol

1,1,1-trifluoro-3-(3-methylpyrrolidin-1-yl)propan-2-ol (PubChem CID 63900193) has the molecular formula C8H14F3NO and a molecular weight of 197.20 g/mol. Its IUPAC name is 1,1,1-trifluoro-3-(3-methylpyrrolidin-1-yl)propan-2-ol.

Molecular Properties

Compound Name1,1,1-trifluoro-3-(3-methylpyrrolidin-1-yl)propan-2-ol
PubChem CID63900193
Molecular FormulaC8H14F3NO
Molecular Weight197.20 g/mol
Exact Mass197.10
IUPAC Name1,1,1-trifluoro-3-(3-methylpyrrolidin-1-yl)propan-2-ol
SMILESCC1CCN(CC(O)C(F)(F)F)C1
InChIInChI=1S/C8H14F3NO/c1-6-2-3-12(4-6)5-7(13)8(9,10)11/h6-7,13H,2-5H2,1H3
InChIKeyLURGNSZBMOXSTG-UHFFFAOYSA-N
XLogP1.25
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.20
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 118565163
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CID 122449630
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CID 122450703
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CID 123221015
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CID 129247981
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CID 130676294
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CID 131025563
CID 131025563

Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-3-(3-methylpyrrolidin-1-yl)propan-2-ol?
The IUPAC name of 1,1,1-trifluoro-3-(3-methylpyrrolidin-1-yl)propan-2-ol (CID 63900193) is 1,1,1-trifluoro-3-(3-methylpyrrolidin-1-yl)propan-2-ol.
What is the SMILES notation for 1,1,1-trifluoro-3-(3-methylpyrrolidin-1-yl)propan-2-ol?
The canonical SMILES for 1,1,1-trifluoro-3-(3-methylpyrrolidin-1-yl)propan-2-ol is CC1CCN(CC(O)C(F)(F)F)C1.
What is the InChIKey of 1,1,1-trifluoro-3-(3-methylpyrrolidin-1-yl)propan-2-ol?
The InChIKey is LURGNSZBMOXSTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F3NO/c1-6-2-3-12(4-6)5-7(13)8(9,10)11/h6-7,13H,2-5H2,1H3.
What are the key properties of 1,1,1-trifluoro-3-(3-methylpyrrolidin-1-yl)propan-2-ol?
1,1,1-trifluoro-3-(3-methylpyrrolidin-1-yl)propan-2-ol has a molecular weight of 197.20 g/mol, XLogP of 1.25, 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-3-(3-methylpyrrolidin-1-yl)propan-2-ol is sourced from PubChem (CID 63900193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).