(1R)-1-cyclopropyl-2-(3-fluoropyrrolidin-1-yl)ethanol

C9H16FNO — CID 175318160

IUPAC(1R)-1-cyclopropyl-2-(3-fluoropyrrolidin-1-yl)ethanol
SMILESO[C@@H](CN1CCC(F)C1)C1CC1
InChIInChI=1S/C9H16FNO/c10-8-3-4-11(5-8)6-9(12)7-1-2-7/h7-9,12H,1-6H2/t8?,9-/m0/s1
InChIKeyQBAVFSTVODIQNI-GKAPJAKFSA-N
MW173.23 g/mol
LogP0.80
Rot. Bonds3

About (1R)-1-cyclopropyl-2-(3-fluoropyrrolidin-1-yl)ethanol

(1R)-1-cyclopropyl-2-(3-fluoropyrrolidin-1-yl)ethanol (PubChem CID 175318160) has the molecular formula C9H16FNO and a molecular weight of 173.23 g/mol. Its IUPAC name is (1R)-1-cyclopropyl-2-(3-fluoropyrrolidin-1-yl)ethanol.

Molecular Properties

Compound Name(1R)-1-cyclopropyl-2-(3-fluoropyrrolidin-1-yl)ethanol
PubChem CID175318160
Molecular FormulaC9H16FNO
Molecular Weight173.23 g/mol
Exact Mass173.12
IUPAC Name(1R)-1-cyclopropyl-2-(3-fluoropyrrolidin-1-yl)ethanol
SMILESO[C@@H](CN1CCC(F)C1)C1CC1
InChIInChI=1S/C9H16FNO/c10-8-3-4-11(5-8)6-9(12)7-1-2-7/h7-9,12H,1-6H2/t8?,9-/m0/s1
InChIKeyQBAVFSTVODIQNI-GKAPJAKFSA-N
XLogP0.80
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.23
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1R)-1-cyclopropyl-2-(3-fluoropyrrolidin-1-yl)ethanol?
The IUPAC name of (1R)-1-cyclopropyl-2-(3-fluoropyrrolidin-1-yl)ethanol (CID 175318160) is (1R)-1-cyclopropyl-2-(3-fluoropyrrolidin-1-yl)ethanol.
What is the SMILES notation for (1R)-1-cyclopropyl-2-(3-fluoropyrrolidin-1-yl)ethanol?
The canonical SMILES for (1R)-1-cyclopropyl-2-(3-fluoropyrrolidin-1-yl)ethanol is O[C@@H](CN1CCC(F)C1)C1CC1.
What is the InChIKey of (1R)-1-cyclopropyl-2-(3-fluoropyrrolidin-1-yl)ethanol?
The InChIKey is QBAVFSTVODIQNI-GKAPJAKFSA-N. The full InChI is InChI=1S/C9H16FNO/c10-8-3-4-11(5-8)6-9(12)7-1-2-7/h7-9,12H,1-6H2/t8?,9-/m0/s1.
What are the key properties of (1R)-1-cyclopropyl-2-(3-fluoropyrrolidin-1-yl)ethanol?
(1R)-1-cyclopropyl-2-(3-fluoropyrrolidin-1-yl)ethanol has a molecular weight of 173.23 g/mol, XLogP of 0.80, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-cyclopropyl-2-(3-fluoropyrrolidin-1-yl)ethanol is sourced from PubChem (CID 175318160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).