(3R,4S)-4-fluorooxolan-3-amine;hydrochloride

C4H9ClFNO — CID 139027088

IUPAC(3R,4S)-4-fluorooxolan-3-amine;hydrochloride
SMILESCl.N[C@@H]1COC[C@H]1F
InChIInChI=1S/C4H8FNO.ClH/c5-3-1-7-2-4(3)6;/h3-4H,1-2,6H2;1H/t3-,4-;/m1./s1
InChIKeyZDRLKYGLYRTMMM-VKKIDBQXSA-N
MW141.57 g/mol
LogP0.10
Rot. Bonds

About (3R,4S)-4-fluorooxolan-3-amine;hydrochloride

(3R,4S)-4-fluorooxolan-3-amine;hydrochloride (PubChem CID 139027088) has the molecular formula C4H9ClFNO and a molecular weight of 141.57 g/mol. Its IUPAC name is (3R,4S)-4-fluorooxolan-3-amine;hydrochloride.

Molecular Properties

Compound Name(3R,4S)-4-fluorooxolan-3-amine;hydrochloride
PubChem CID139027088
Molecular FormulaC4H9ClFNO
Molecular Weight141.57 g/mol
Exact Mass141.04
IUPAC Name(3R,4S)-4-fluorooxolan-3-amine;hydrochloride
SMILESCl.N[C@@H]1COC[C@H]1F
InChIInChI=1S/C4H8FNO.ClH/c5-3-1-7-2-4(3)6;/h3-4H,1-2,6H2;1H/t3-,4-;/m1./s1
InChIKeyZDRLKYGLYRTMMM-VKKIDBQXSA-N
XLogP0.10
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.57
LogP ≤ 50.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (3R,4S)-4-fluorooxolan-3-amine;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3R,4S)-4-fluorooxolan-3-amine;hydrochloride?
The IUPAC name of (3R,4S)-4-fluorooxolan-3-amine;hydrochloride (CID 139027088) is (3R,4S)-4-fluorooxolan-3-amine;hydrochloride.
What is the SMILES notation for (3R,4S)-4-fluorooxolan-3-amine;hydrochloride?
The canonical SMILES for (3R,4S)-4-fluorooxolan-3-amine;hydrochloride is Cl.N[C@@H]1COC[C@H]1F.
What is the InChIKey of (3R,4S)-4-fluorooxolan-3-amine;hydrochloride?
The InChIKey is ZDRLKYGLYRTMMM-VKKIDBQXSA-N. The full InChI is InChI=1S/C4H8FNO.ClH/c5-3-1-7-2-4(3)6;/h3-4H,1-2,6H2;1H/t3-,4-;/m1./s1.
What are the key properties of (3R,4S)-4-fluorooxolan-3-amine;hydrochloride?
(3R,4S)-4-fluorooxolan-3-amine;hydrochloride has a molecular weight of 141.57 g/mol, XLogP of 0.10, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-4-fluorooxolan-3-amine;hydrochloride is sourced from PubChem (CID 139027088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).