2-(1-ethylpyrrolidin-3-yl)-2-fluoroethanol

C8H16FNO — CID 105431671

IUPAC2-(1-ethylpyrrolidin-3-yl)-2-fluoroethanol
SMILESCCN1CCC(C(F)CO)C1
InChIInChI=1S/C8H16FNO/c1-2-10-4-3-7(5-10)8(9)6-11/h7-8,11H,2-6H2,1H3
InChIKeyWVNHTMYVXMFKNI-UHFFFAOYSA-N
MW161.22 g/mol
LogP0.66
Rot. Bonds3

About 2-(1-ethylpyrrolidin-3-yl)-2-fluoroethanol

2-(1-ethylpyrrolidin-3-yl)-2-fluoroethanol (PubChem CID 105431671) has the molecular formula C8H16FNO and a molecular weight of 161.22 g/mol. Its IUPAC name is 2-(1-ethylpyrrolidin-3-yl)-2-fluoroethanol.

Molecular Properties

Compound Name2-(1-ethylpyrrolidin-3-yl)-2-fluoroethanol
PubChem CID105431671
Molecular FormulaC8H16FNO
Molecular Weight161.22 g/mol
Exact Mass161.12
IUPAC Name2-(1-ethylpyrrolidin-3-yl)-2-fluoroethanol
SMILESCCN1CCC(C(F)CO)C1
InChIInChI=1S/C8H16FNO/c1-2-10-4-3-7(5-10)8(9)6-11/h7-8,11H,2-6H2,1H3
InChIKeyWVNHTMYVXMFKNI-UHFFFAOYSA-N
XLogP0.66
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.22
LogP ≤ 50.66
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)-2-fluoroethanol?
The IUPAC name of 2-(1-ethylpyrrolidin-3-yl)-2-fluoroethanol (CID 105431671) is 2-(1-ethylpyrrolidin-3-yl)-2-fluoroethanol.
What is the SMILES notation for 2-(1-ethylpyrrolidin-3-yl)-2-fluoroethanol?
The canonical SMILES for 2-(1-ethylpyrrolidin-3-yl)-2-fluoroethanol is CCN1CCC(C(F)CO)C1.
What is the InChIKey of 2-(1-ethylpyrrolidin-3-yl)-2-fluoroethanol?
The InChIKey is WVNHTMYVXMFKNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16FNO/c1-2-10-4-3-7(5-10)8(9)6-11/h7-8,11H,2-6H2,1H3.
What are the key properties of 2-(1-ethylpyrrolidin-3-yl)-2-fluoroethanol?
2-(1-ethylpyrrolidin-3-yl)-2-fluoroethanol has a molecular weight of 161.22 g/mol, XLogP of 0.66, 3 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)-2-fluoroethanol is sourced from PubChem (CID 105431671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).