3-(2,4-dimethylpyrrolidin-1-yl)-1,1,1-trifluoropropan-2-ol

C9H16F3NO — CID 104709047

IUPAC3-(2,4-dimethylpyrrolidin-1-yl)-1,1,1-trifluoropropan-2-ol
SMILESCC1CC(C)N(CC(O)C(F)(F)F)C1
InChIInChI=1S/C9H16F3NO/c1-6-3-7(2)13(4-6)5-8(14)9(10,11)12/h6-8,14H,3-5H2,1-2H3
InChIKeyIXRUQNLKVGBQAY-UHFFFAOYSA-N
MW211.23 g/mol
LogP1.64
Rot. Bonds2

About 3-(2,4-dimethylpyrrolidin-1-yl)-1,1,1-trifluoropropan-2-ol

3-(2,4-dimethylpyrrolidin-1-yl)-1,1,1-trifluoropropan-2-ol (PubChem CID 104709047) has the molecular formula C9H16F3NO and a molecular weight of 211.23 g/mol. Its IUPAC name is 3-(2,4-dimethylpyrrolidin-1-yl)-1,1,1-trifluoropropan-2-ol.

Molecular Properties

Compound Name3-(2,4-dimethylpyrrolidin-1-yl)-1,1,1-trifluoropropan-2-ol
PubChem CID104709047
Molecular FormulaC9H16F3NO
Molecular Weight211.23 g/mol
Exact Mass211.12
IUPAC Name3-(2,4-dimethylpyrrolidin-1-yl)-1,1,1-trifluoropropan-2-ol
SMILESCC1CC(C)N(CC(O)C(F)(F)F)C1
InChIInChI=1S/C9H16F3NO/c1-6-3-7(2)13(4-6)5-8(14)9(10,11)12/h6-8,14H,3-5H2,1-2H3
InChIKeyIXRUQNLKVGBQAY-UHFFFAOYSA-N
XLogP1.64
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.23
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dimethylpyrrolidin-1-yl)-1,1,1-trifluoropropan-2-ol?
The IUPAC name of 3-(2,4-dimethylpyrrolidin-1-yl)-1,1,1-trifluoropropan-2-ol (CID 104709047) is 3-(2,4-dimethylpyrrolidin-1-yl)-1,1,1-trifluoropropan-2-ol.
What is the SMILES notation for 3-(2,4-dimethylpyrrolidin-1-yl)-1,1,1-trifluoropropan-2-ol?
The canonical SMILES for 3-(2,4-dimethylpyrrolidin-1-yl)-1,1,1-trifluoropropan-2-ol is CC1CC(C)N(CC(O)C(F)(F)F)C1.
What is the InChIKey of 3-(2,4-dimethylpyrrolidin-1-yl)-1,1,1-trifluoropropan-2-ol?
The InChIKey is IXRUQNLKVGBQAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F3NO/c1-6-3-7(2)13(4-6)5-8(14)9(10,11)12/h6-8,14H,3-5H2,1-2H3.
What are the key properties of 3-(2,4-dimethylpyrrolidin-1-yl)-1,1,1-trifluoropropan-2-ol?
3-(2,4-dimethylpyrrolidin-1-yl)-1,1,1-trifluoropropan-2-ol has a molecular weight of 211.23 g/mol, XLogP of 1.64, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dimethylpyrrolidin-1-yl)-1,1,1-trifluoropropan-2-ol is sourced from PubChem (CID 104709047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).