1-(2,2,2-trifluoroethyl)pyrrolidin-3-ol

C6H10F3NO — CID 62916301

IUPAC1-(2,2,2-trifluoroethyl)pyrrolidin-3-ol
SMILESOC1CCN(CC(F)(F)F)C1
InChIInChI=1S/C6H10F3NO/c7-6(8,9)4-10-2-1-5(11)3-10/h5,11H,1-4H2
InChIKeyCBOOVKDKSNRMRF-UHFFFAOYSA-N
MW169.15 g/mol
LogP0.62
Rot. Bonds1

About 1-(2,2,2-trifluoroethyl)pyrrolidin-3-ol

1-(2,2,2-trifluoroethyl)pyrrolidin-3-ol (PubChem CID 62916301) has the molecular formula C6H10F3NO and a molecular weight of 169.15 g/mol. Its IUPAC name is 1-(2,2,2-trifluoroethyl)pyrrolidin-3-ol.

Molecular Properties

Compound Name1-(2,2,2-trifluoroethyl)pyrrolidin-3-ol
PubChem CID62916301
Molecular FormulaC6H10F3NO
Molecular Weight169.15 g/mol
Exact Mass169.07
IUPAC Name1-(2,2,2-trifluoroethyl)pyrrolidin-3-ol
SMILESOC1CCN(CC(F)(F)F)C1
InChIInChI=1S/C6H10F3NO/c7-6(8,9)4-10-2-1-5(11)3-10/h5,11H,1-4H2
InChIKeyCBOOVKDKSNRMRF-UHFFFAOYSA-N
XLogP0.62
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.15
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2,2-trifluoroethyl)pyrrolidin-3-ol?
The IUPAC name of 1-(2,2,2-trifluoroethyl)pyrrolidin-3-ol (CID 62916301) is 1-(2,2,2-trifluoroethyl)pyrrolidin-3-ol.
What is the SMILES notation for 1-(2,2,2-trifluoroethyl)pyrrolidin-3-ol?
The canonical SMILES for 1-(2,2,2-trifluoroethyl)pyrrolidin-3-ol is OC1CCN(CC(F)(F)F)C1.
What is the InChIKey of 1-(2,2,2-trifluoroethyl)pyrrolidin-3-ol?
The InChIKey is CBOOVKDKSNRMRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10F3NO/c7-6(8,9)4-10-2-1-5(11)3-10/h5,11H,1-4H2.
What are the key properties of 1-(2,2,2-trifluoroethyl)pyrrolidin-3-ol?
1-(2,2,2-trifluoroethyl)pyrrolidin-3-ol has a molecular weight of 169.15 g/mol, XLogP of 0.62, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2,2-trifluoroethyl)pyrrolidin-3-ol is sourced from PubChem (CID 62916301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).