2-[(3R)-3-(2-fluorophenyl)-2,2-dimethylpyrrolidin-1-yl]ethanol

C14H20FNO — CID 164639543

IUPAC2-[(3R)-3-(2-fluorophenyl)-2,2-dimethylpyrrolidin-1-yl]ethanol
SMILESCC1(C)[C@@H](c2ccccc2F)CCN1CCO
InChIInChI=1S/C14H20FNO/c1-14(2)12(7-8-16(14)9-10-17)11-5-3-4-6-13(11)15/h3-6,12,17H,7-10H2,1-2H3/t12-/m1/s1
InChIKeyHJSZPHJVTSMFFL-GFCCVEGCSA-N
MW237.32 g/mol
LogP2.39
Rot. Bonds3

About 2-[(3R)-3-(2-fluorophenyl)-2,2-dimethylpyrrolidin-1-yl]ethanol

2-[(3R)-3-(2-fluorophenyl)-2,2-dimethylpyrrolidin-1-yl]ethanol (PubChem CID 164639543) has the molecular formula C14H20FNO and a molecular weight of 237.32 g/mol. Its IUPAC name is 2-[(3R)-3-(2-fluorophenyl)-2,2-dimethylpyrrolidin-1-yl]ethanol.

Molecular Properties

Compound Name2-[(3R)-3-(2-fluorophenyl)-2,2-dimethylpyrrolidin-1-yl]ethanol
PubChem CID164639543
Molecular FormulaC14H20FNO
Molecular Weight237.32 g/mol
Exact Mass237.15
IUPAC Name2-[(3R)-3-(2-fluorophenyl)-2,2-dimethylpyrrolidin-1-yl]ethanol
SMILESCC1(C)[C@@H](c2ccccc2F)CCN1CCO
InChIInChI=1S/C14H20FNO/c1-14(2)12(7-8-16(14)9-10-17)11-5-3-4-6-13(11)15/h3-6,12,17H,7-10H2,1-2H3/t12-/m1/s1
InChIKeyHJSZPHJVTSMFFL-GFCCVEGCSA-N
XLogP2.39
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.32
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-3-(2-fluorophenyl)-2,2-dimethylpyrrolidin-1-yl]ethanol?
The IUPAC name of 2-[(3R)-3-(2-fluorophenyl)-2,2-dimethylpyrrolidin-1-yl]ethanol (CID 164639543) is 2-[(3R)-3-(2-fluorophenyl)-2,2-dimethylpyrrolidin-1-yl]ethanol.
What is the SMILES notation for 2-[(3R)-3-(2-fluorophenyl)-2,2-dimethylpyrrolidin-1-yl]ethanol?
The canonical SMILES for 2-[(3R)-3-(2-fluorophenyl)-2,2-dimethylpyrrolidin-1-yl]ethanol is CC1(C)[C@@H](c2ccccc2F)CCN1CCO.
What is the InChIKey of 2-[(3R)-3-(2-fluorophenyl)-2,2-dimethylpyrrolidin-1-yl]ethanol?
The InChIKey is HJSZPHJVTSMFFL-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H20FNO/c1-14(2)12(7-8-16(14)9-10-17)11-5-3-4-6-13(11)15/h3-6,12,17H,7-10H2,1-2H3/t12-/m1/s1.
What are the key properties of 2-[(3R)-3-(2-fluorophenyl)-2,2-dimethylpyrrolidin-1-yl]ethanol?
2-[(3R)-3-(2-fluorophenyl)-2,2-dimethylpyrrolidin-1-yl]ethanol has a molecular weight of 237.32 g/mol, XLogP of 2.39, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-3-(2-fluorophenyl)-2,2-dimethylpyrrolidin-1-yl]ethanol is sourced from PubChem (CID 164639543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).