1-(1-fluoropyrrolidin-2-yl)ethanol

C6H12FNO — CID 172818721

IUPAC1-(1-fluoropyrrolidin-2-yl)ethanol
SMILESCC(O)C1CCCN1F
InChIInChI=1S/C6H12FNO/c1-5(9)6-3-2-4-8(6)7/h5-6,9H,2-4H2,1H3
InChIKeyTXUFWFVHVNIMDG-UHFFFAOYSA-N
MW133.17 g/mol
LogP0.72
Rot. Bonds1

About 1-(1-fluoropyrrolidin-2-yl)ethanol

1-(1-fluoropyrrolidin-2-yl)ethanol (PubChem CID 172818721) has the molecular formula C6H12FNO and a molecular weight of 133.17 g/mol. Its IUPAC name is 1-(1-fluoropyrrolidin-2-yl)ethanol.

Molecular Properties

Compound Name1-(1-fluoropyrrolidin-2-yl)ethanol
PubChem CID172818721
Molecular FormulaC6H12FNO
Molecular Weight133.17 g/mol
Exact Mass133.09
IUPAC Name1-(1-fluoropyrrolidin-2-yl)ethanol
SMILESCC(O)C1CCCN1F
InChIInChI=1S/C6H12FNO/c1-5(9)6-3-2-4-8(6)7/h5-6,9H,2-4H2,1H3
InChIKeyTXUFWFVHVNIMDG-UHFFFAOYSA-N
XLogP0.72
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.17
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-halo', 'substructure': 'N/A'}

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Related Compounds

(1R)-1-[(2R)-1-methylpyrrolidin-2-yl]ethanol
CID 155904197
1-[1-(1-hydroxyethyl)piperidin-2-yl]ethanol
CID 122614507
(2S)-2-[(1R)-1-hydroxyethyl]pyrrolidine-1-carboximidamide
CID 129495358
1-methanidyl-2-propan-2-ylpyrrolidine
CID 72524813
(1R)-1-[(2S)-1-(2-hydroxyethyl)piperidin-2-yl]ethanol
CID 129414162
1-(1-butan-2-ylpiperidin-2-yl)ethanol
CID 130747081
(1R)-1-[(2R)-1-(2-hydroxyethyl)piperidin-2-yl]ethanol
CID 129414164
(2R)-2-[(2S)-2-[(1R)-1-hydroxyethyl]pyrrolidin-1-yl]butanoic acid
CID 129498272
(1S)-1-[(2R)-1-(2-propan-2-yloxyethyl)piperidin-2-yl]ethanol
CID 98759209
tert-butyl (2R)-2-[(1S)-1-hydroxyethyl]pyrrolidine-1-carboxylate
CID 95566963
2-[2-(1-hydroxyethyl)pyrrolidin-1-yl]butanoic acid
CID 121201708
1-[1-(2-azidoethyl)pyrrolidin-2-yl]ethanol
CID 121201711

Frequently Asked Questions

What is the IUPAC name of 1-(1-fluoropyrrolidin-2-yl)ethanol?
The IUPAC name of 1-(1-fluoropyrrolidin-2-yl)ethanol (CID 172818721) is 1-(1-fluoropyrrolidin-2-yl)ethanol.
What is the SMILES notation for 1-(1-fluoropyrrolidin-2-yl)ethanol?
The canonical SMILES for 1-(1-fluoropyrrolidin-2-yl)ethanol is CC(O)C1CCCN1F.
What is the InChIKey of 1-(1-fluoropyrrolidin-2-yl)ethanol?
The InChIKey is TXUFWFVHVNIMDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12FNO/c1-5(9)6-3-2-4-8(6)7/h5-6,9H,2-4H2,1H3.
What are the key properties of 1-(1-fluoropyrrolidin-2-yl)ethanol?
1-(1-fluoropyrrolidin-2-yl)ethanol has a molecular weight of 133.17 g/mol, XLogP of 0.72, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-fluoropyrrolidin-2-yl)ethanol is sourced from PubChem (CID 172818721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).