2-(1-ethylpyrrolidin-3-yl)-1,1,1-trifluoropropan-2-ol

C9H16F3NO — CID 83980622

IUPAC2-(1-ethylpyrrolidin-3-yl)-1,1,1-trifluoropropan-2-ol
SMILESCCN1CCC(C(C)(O)C(F)(F)F)C1
InChIInChI=1S/C9H16F3NO/c1-3-13-5-4-7(6-13)8(2,14)9(10,11)12/h7,14H,3-6H2,1-2H3
InChIKeyAUFLVGKFEDCPTL-UHFFFAOYSA-N
MW211.23 g/mol
LogP1.64
Rot. Bonds2

About 2-(1-ethylpyrrolidin-3-yl)-1,1,1-trifluoropropan-2-ol

2-(1-ethylpyrrolidin-3-yl)-1,1,1-trifluoropropan-2-ol (PubChem CID 83980622) has the molecular formula C9H16F3NO and a molecular weight of 211.23 g/mol. Its IUPAC name is 2-(1-ethylpyrrolidin-3-yl)-1,1,1-trifluoropropan-2-ol.

Molecular Properties

Compound Name2-(1-ethylpyrrolidin-3-yl)-1,1,1-trifluoropropan-2-ol
PubChem CID83980622
Molecular FormulaC9H16F3NO
Molecular Weight211.23 g/mol
Exact Mass211.12
IUPAC Name2-(1-ethylpyrrolidin-3-yl)-1,1,1-trifluoropropan-2-ol
SMILESCCN1CCC(C(C)(O)C(F)(F)F)C1
InChIInChI=1S/C9H16F3NO/c1-3-13-5-4-7(6-13)8(2,14)9(10,11)12/h7,14H,3-6H2,1-2H3
InChIKeyAUFLVGKFEDCPTL-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 2-(1-ethylpyrrolidin-3-yl)-1,1,1-trifluoropropan-2-ol?
The IUPAC name of 2-(1-ethylpyrrolidin-3-yl)-1,1,1-trifluoropropan-2-ol (CID 83980622) is 2-(1-ethylpyrrolidin-3-yl)-1,1,1-trifluoropropan-2-ol.
What is the SMILES notation for 2-(1-ethylpyrrolidin-3-yl)-1,1,1-trifluoropropan-2-ol?
The canonical SMILES for 2-(1-ethylpyrrolidin-3-yl)-1,1,1-trifluoropropan-2-ol is CCN1CCC(C(C)(O)C(F)(F)F)C1.
What is the InChIKey of 2-(1-ethylpyrrolidin-3-yl)-1,1,1-trifluoropropan-2-ol?
The InChIKey is AUFLVGKFEDCPTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F3NO/c1-3-13-5-4-7(6-13)8(2,14)9(10,11)12/h7,14H,3-6H2,1-2H3.
What are the key properties of 2-(1-ethylpyrrolidin-3-yl)-1,1,1-trifluoropropan-2-ol?
2-(1-ethylpyrrolidin-3-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 2-(1-ethylpyrrolidin-3-yl)-1,1,1-trifluoropropan-2-ol is sourced from PubChem (CID 83980622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).