(1S)-1-(4-fluorooxolan-3-yl)propane-1,3-diol

C7H13FO3 — CID 163818209

IUPAC(1S)-1-(4-fluorooxolan-3-yl)propane-1,3-diol
SMILESOCC[C@H](O)C1COCC1F
InChIInChI=1S/C7H13FO3/c8-6-4-11-3-5(6)7(10)1-2-9/h5-7,9-10H,1-4H2/t5?,6?,7-/m0/s1
InChIKeyNTDIRBMUPSJDPR-AHXFUIDQSA-N
MW164.18 g/mol
LogP-0.29
Rot. Bonds3

About (1S)-1-(4-fluorooxolan-3-yl)propane-1,3-diol

(1S)-1-(4-fluorooxolan-3-yl)propane-1,3-diol (PubChem CID 163818209) has the molecular formula C7H13FO3 and a molecular weight of 164.18 g/mol. Its IUPAC name is (1S)-1-(4-fluorooxolan-3-yl)propane-1,3-diol.

Molecular Properties

Compound Name(1S)-1-(4-fluorooxolan-3-yl)propane-1,3-diol
PubChem CID163818209
Molecular FormulaC7H13FO3
Molecular Weight164.18 g/mol
Exact Mass164.08
IUPAC Name(1S)-1-(4-fluorooxolan-3-yl)propane-1,3-diol
SMILESOCC[C@H](O)C1COCC1F
InChIInChI=1S/C7H13FO3/c8-6-4-11-3-5(6)7(10)1-2-9/h5-7,9-10H,1-4H2/t5?,6?,7-/m0/s1
InChIKeyNTDIRBMUPSJDPR-AHXFUIDQSA-N
XLogP-0.29
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.18
LogP ≤ 5-0.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1S)-1-(4-fluorooxolan-3-yl)propane-1,3-diol?
The IUPAC name of (1S)-1-(4-fluorooxolan-3-yl)propane-1,3-diol (CID 163818209) is (1S)-1-(4-fluorooxolan-3-yl)propane-1,3-diol.
What is the SMILES notation for (1S)-1-(4-fluorooxolan-3-yl)propane-1,3-diol?
The canonical SMILES for (1S)-1-(4-fluorooxolan-3-yl)propane-1,3-diol is OCC[C@H](O)C1COCC1F.
What is the InChIKey of (1S)-1-(4-fluorooxolan-3-yl)propane-1,3-diol?
The InChIKey is NTDIRBMUPSJDPR-AHXFUIDQSA-N. The full InChI is InChI=1S/C7H13FO3/c8-6-4-11-3-5(6)7(10)1-2-9/h5-7,9-10H,1-4H2/t5?,6?,7-/m0/s1.
What are the key properties of (1S)-1-(4-fluorooxolan-3-yl)propane-1,3-diol?
(1S)-1-(4-fluorooxolan-3-yl)propane-1,3-diol has a molecular weight of 164.18 g/mol, XLogP of -0.29, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(4-fluorooxolan-3-yl)propane-1,3-diol is sourced from PubChem (CID 163818209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).