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

C8H14F3NO — CID 83980582

IUPAC1,1,1-trifluoro-2-(1-methylpyrrolidin-3-yl)propan-2-ol
SMILESCN1CCC(C(C)(O)C(F)(F)F)C1
InChIInChI=1S/C8H14F3NO/c1-7(13,8(9,10)11)6-3-4-12(2)5-6/h6,13H,3-5H2,1-2H3
InChIKeyXIESHSHYWDOKDO-UHFFFAOYSA-N
MW197.20 g/mol
LogP1.25
Rot. Bonds1

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

1,1,1-trifluoro-2-(1-methylpyrrolidin-3-yl)propan-2-ol (PubChem CID 83980582) has the molecular formula C8H14F3NO and a molecular weight of 197.20 g/mol. Its IUPAC name is 1,1,1-trifluoro-2-(1-methylpyrrolidin-3-yl)propan-2-ol.

Molecular Properties

Compound Name1,1,1-trifluoro-2-(1-methylpyrrolidin-3-yl)propan-2-ol
PubChem CID83980582
Molecular FormulaC8H14F3NO
Molecular Weight197.20 g/mol
Exact Mass197.10
IUPAC Name1,1,1-trifluoro-2-(1-methylpyrrolidin-3-yl)propan-2-ol
SMILESCN1CCC(C(C)(O)C(F)(F)F)C1
InChIInChI=1S/C8H14F3NO/c1-7(13,8(9,10)11)6-3-4-12(2)5-6/h6,13H,3-5H2,1-2H3
InChIKeyXIESHSHYWDOKDO-UHFFFAOYSA-N
XLogP1.25
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
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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Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-2-(1-methylpyrrolidin-3-yl)propan-2-ol?
The IUPAC name of 1,1,1-trifluoro-2-(1-methylpyrrolidin-3-yl)propan-2-ol (CID 83980582) is 1,1,1-trifluoro-2-(1-methylpyrrolidin-3-yl)propan-2-ol.
What is the SMILES notation for 1,1,1-trifluoro-2-(1-methylpyrrolidin-3-yl)propan-2-ol?
The canonical SMILES for 1,1,1-trifluoro-2-(1-methylpyrrolidin-3-yl)propan-2-ol is CN1CCC(C(C)(O)C(F)(F)F)C1.
What is the InChIKey of 1,1,1-trifluoro-2-(1-methylpyrrolidin-3-yl)propan-2-ol?
The InChIKey is XIESHSHYWDOKDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F3NO/c1-7(13,8(9,10)11)6-3-4-12(2)5-6/h6,13H,3-5H2,1-2H3.
What are the key properties of 1,1,1-trifluoro-2-(1-methylpyrrolidin-3-yl)propan-2-ol?
1,1,1-trifluoro-2-(1-methylpyrrolidin-3-yl)propan-2-ol has a molecular weight of 197.20 g/mol, XLogP of 1.25, 1 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-(1-methylpyrrolidin-3-yl)propan-2-ol is sourced from PubChem (CID 83980582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).