2-(1-tert-butylpyrrolidin-3-yl)-2-fluoroethanol

C10H20FNO — CID 105443901

IUPAC2-(1-tert-butylpyrrolidin-3-yl)-2-fluoroethanol
SMILESCC(C)(C)N1CCC(C(F)CO)C1
InChIInChI=1S/C10H20FNO/c1-10(2,3)12-5-4-8(6-12)9(11)7-13/h8-9,13H,4-7H2,1-3H3
InChIKeyUFAZRTUMNIXSLU-UHFFFAOYSA-N
MW189.27 g/mol
LogP1.44
Rot. Bonds2

About 2-(1-tert-butylpyrrolidin-3-yl)-2-fluoroethanol

2-(1-tert-butylpyrrolidin-3-yl)-2-fluoroethanol (PubChem CID 105443901) has the molecular formula C10H20FNO and a molecular weight of 189.27 g/mol. Its IUPAC name is 2-(1-tert-butylpyrrolidin-3-yl)-2-fluoroethanol.

Molecular Properties

Compound Name2-(1-tert-butylpyrrolidin-3-yl)-2-fluoroethanol
PubChem CID105443901
Molecular FormulaC10H20FNO
Molecular Weight189.27 g/mol
Exact Mass189.15
IUPAC Name2-(1-tert-butylpyrrolidin-3-yl)-2-fluoroethanol
SMILESCC(C)(C)N1CCC(C(F)CO)C1
InChIInChI=1S/C10H20FNO/c1-10(2,3)12-5-4-8(6-12)9(11)7-13/h8-9,13H,4-7H2,1-3H3
InChIKeyUFAZRTUMNIXSLU-UHFFFAOYSA-N
XLogP1.44
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.27
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(1-tert-butylpyrrolidin-3-yl)-2-fluoroethanol?
The IUPAC name of 2-(1-tert-butylpyrrolidin-3-yl)-2-fluoroethanol (CID 105443901) is 2-(1-tert-butylpyrrolidin-3-yl)-2-fluoroethanol.
What is the SMILES notation for 2-(1-tert-butylpyrrolidin-3-yl)-2-fluoroethanol?
The canonical SMILES for 2-(1-tert-butylpyrrolidin-3-yl)-2-fluoroethanol is CC(C)(C)N1CCC(C(F)CO)C1.
What is the InChIKey of 2-(1-tert-butylpyrrolidin-3-yl)-2-fluoroethanol?
The InChIKey is UFAZRTUMNIXSLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20FNO/c1-10(2,3)12-5-4-8(6-12)9(11)7-13/h8-9,13H,4-7H2,1-3H3.
What are the key properties of 2-(1-tert-butylpyrrolidin-3-yl)-2-fluoroethanol?
2-(1-tert-butylpyrrolidin-3-yl)-2-fluoroethanol has a molecular weight of 189.27 g/mol, XLogP of 1.44, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-tert-butylpyrrolidin-3-yl)-2-fluoroethanol is sourced from PubChem (CID 105443901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).