4-(2-fluoroethyl)-1-methylpyrrolidin-3-ol

C7H14FNO — CID 115011722

IUPAC4-(2-fluoroethyl)-1-methylpyrrolidin-3-ol
SMILESCN1CC(O)C(CCF)C1
InChIInChI=1S/C7H14FNO/c1-9-4-6(2-3-8)7(10)5-9/h6-7,10H,2-5H2,1H3
InChIKeyZEQWKSBKIQZZFS-UHFFFAOYSA-N
MW147.19 g/mol
LogP0.27
Rot. Bonds2

About 4-(2-fluoroethyl)-1-methylpyrrolidin-3-ol

4-(2-fluoroethyl)-1-methylpyrrolidin-3-ol (PubChem CID 115011722) has the molecular formula C7H14FNO and a molecular weight of 147.19 g/mol. Its IUPAC name is 4-(2-fluoroethyl)-1-methylpyrrolidin-3-ol.

Molecular Properties

Compound Name4-(2-fluoroethyl)-1-methylpyrrolidin-3-ol
PubChem CID115011722
Molecular FormulaC7H14FNO
Molecular Weight147.19 g/mol
Exact Mass147.11
IUPAC Name4-(2-fluoroethyl)-1-methylpyrrolidin-3-ol
SMILESCN1CC(O)C(CCF)C1
InChIInChI=1S/C7H14FNO/c1-9-4-6(2-3-8)7(10)5-9/h6-7,10H,2-5H2,1H3
InChIKeyZEQWKSBKIQZZFS-UHFFFAOYSA-N
XLogP0.27
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.19
LogP ≤ 50.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(2-fluoroethyl)-1-methylpyrrolidin-3-ol?
The IUPAC name of 4-(2-fluoroethyl)-1-methylpyrrolidin-3-ol (CID 115011722) is 4-(2-fluoroethyl)-1-methylpyrrolidin-3-ol.
What is the SMILES notation for 4-(2-fluoroethyl)-1-methylpyrrolidin-3-ol?
The canonical SMILES for 4-(2-fluoroethyl)-1-methylpyrrolidin-3-ol is CN1CC(O)C(CCF)C1.
What is the InChIKey of 4-(2-fluoroethyl)-1-methylpyrrolidin-3-ol?
The InChIKey is ZEQWKSBKIQZZFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14FNO/c1-9-4-6(2-3-8)7(10)5-9/h6-7,10H,2-5H2,1H3.
What are the key properties of 4-(2-fluoroethyl)-1-methylpyrrolidin-3-ol?
4-(2-fluoroethyl)-1-methylpyrrolidin-3-ol has a molecular weight of 147.19 g/mol, XLogP of 0.27, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluoroethyl)-1-methylpyrrolidin-3-ol is sourced from PubChem (CID 115011722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).