(3S,4R)-4-(3-fluoropyrrolidin-1-yl)oxolan-3-ol

C8H14FNO2 — CID 165351672

IUPAC(3S,4R)-4-(3-fluoropyrrolidin-1-yl)oxolan-3-ol
SMILESO[C@@H]1COC[C@H]1N1CCC(F)C1
InChIInChI=1S/C8H14FNO2/c9-6-1-2-10(3-6)7-4-12-5-8(7)11/h6-8,11H,1-5H2/t6?,7-,8-/m1/s1
InChIKeyGRGORAZPWNBTBG-SPDVFEMOSA-N
MW175.20 g/mol
LogP-0.21
Rot. Bonds1

About (3S,4R)-4-(3-fluoropyrrolidin-1-yl)oxolan-3-ol

(3S,4R)-4-(3-fluoropyrrolidin-1-yl)oxolan-3-ol (PubChem CID 165351672) has the molecular formula C8H14FNO2 and a molecular weight of 175.20 g/mol. Its IUPAC name is (3S,4R)-4-(3-fluoropyrrolidin-1-yl)oxolan-3-ol.

Molecular Properties

Compound Name(3S,4R)-4-(3-fluoropyrrolidin-1-yl)oxolan-3-ol
PubChem CID165351672
Molecular FormulaC8H14FNO2
Molecular Weight175.20 g/mol
Exact Mass175.10
IUPAC Name(3S,4R)-4-(3-fluoropyrrolidin-1-yl)oxolan-3-ol
SMILESO[C@@H]1COC[C@H]1N1CCC(F)C1
InChIInChI=1S/C8H14FNO2/c9-6-1-2-10(3-6)7-4-12-5-8(7)11/h6-8,11H,1-5H2/t6?,7-,8-/m1/s1
InChIKeyGRGORAZPWNBTBG-SPDVFEMOSA-N
XLogP-0.21
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.20
LogP ≤ 5-0.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3S,4R)-4-(3-fluoropyrrolidin-1-yl)oxolan-3-ol?
The IUPAC name of (3S,4R)-4-(3-fluoropyrrolidin-1-yl)oxolan-3-ol (CID 165351672) is (3S,4R)-4-(3-fluoropyrrolidin-1-yl)oxolan-3-ol.
What is the SMILES notation for (3S,4R)-4-(3-fluoropyrrolidin-1-yl)oxolan-3-ol?
The canonical SMILES for (3S,4R)-4-(3-fluoropyrrolidin-1-yl)oxolan-3-ol is O[C@@H]1COC[C@H]1N1CCC(F)C1.
What is the InChIKey of (3S,4R)-4-(3-fluoropyrrolidin-1-yl)oxolan-3-ol?
The InChIKey is GRGORAZPWNBTBG-SPDVFEMOSA-N. The full InChI is InChI=1S/C8H14FNO2/c9-6-1-2-10(3-6)7-4-12-5-8(7)11/h6-8,11H,1-5H2/t6?,7-,8-/m1/s1.
What are the key properties of (3S,4R)-4-(3-fluoropyrrolidin-1-yl)oxolan-3-ol?
(3S,4R)-4-(3-fluoropyrrolidin-1-yl)oxolan-3-ol has a molecular weight of 175.20 g/mol, XLogP of -0.21, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-4-(3-fluoropyrrolidin-1-yl)oxolan-3-ol is sourced from PubChem (CID 165351672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).