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

C4H9ClFNO — CID 105428309

IUPAC(3S,4R)-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-;/m0./s1
InChIKeyZDRLKYGLYRTMMM-MMALYQPHSA-N
MW141.57 g/mol
LogP0.10
Rot. Bonds

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

(3S,4R)-4-fluorooxolan-3-amine;hydrochloride (PubChem CID 105428309) has the molecular formula C4H9ClFNO and a molecular weight of 141.57 g/mol. Its IUPAC name is (3S,4R)-4-fluorooxolan-3-amine;hydrochloride.

Molecular Properties

Compound Name(3S,4R)-4-fluorooxolan-3-amine;hydrochloride
PubChem CID105428309
Molecular FormulaC4H9ClFNO
Molecular Weight141.57 g/mol
Exact Mass141.04
IUPAC Name(3S,4R)-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-;/m0./s1
InChIKeyZDRLKYGLYRTMMM-MMALYQPHSA-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

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Related Compounds

Oxolan-3-amine
CID 3365553
(3S)-oxolan-3-amine hydrochloride
CID 18664284
(3R,4R)-Tetrahydrofuran-3,4-diamine
CID 14171650
(R)-3-Aminotetrahydrofuran
CID 10996958
3-Aminotetrahydrofuran hydrochloride
CID 22239904
(3R)-3-Aminotetrahydrofuran hydrochloride
CID 46856371
(3R,4S)-oxolane-3,4-diamine dihydrochloride
CID 54593039
rac-(3R,4R)-oxolane-3,4-diamine dihydrochloride
CID 71304766
(3R,4R)-Oxolane-3,4-diamine--hydrogen chloride (1/2)
CID 71607268
(S)-3-Aminotetrahydrofuran
CID 14243168
rac-(3R,4R)-4-fluorooxolan-3-amine hydrochloride
CID 131637523
4,4-Difluorooxolan-3-amine hydrochloride
CID 146082364

Frequently Asked Questions

What is the IUPAC name of (3S,4R)-4-fluorooxolan-3-amine;hydrochloride?
The IUPAC name of (3S,4R)-4-fluorooxolan-3-amine;hydrochloride (CID 105428309) is (3S,4R)-4-fluorooxolan-3-amine;hydrochloride.
What is the SMILES notation for (3S,4R)-4-fluorooxolan-3-amine;hydrochloride?
The canonical SMILES for (3S,4R)-4-fluorooxolan-3-amine;hydrochloride is Cl.N[C@H]1COC[C@@H]1F.
What is the InChIKey of (3S,4R)-4-fluorooxolan-3-amine;hydrochloride?
The InChIKey is ZDRLKYGLYRTMMM-MMALYQPHSA-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-;/m0./s1.
What are the key properties of (3S,4R)-4-fluorooxolan-3-amine;hydrochloride?
(3S,4R)-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 (3S,4R)-4-fluorooxolan-3-amine;hydrochloride is sourced from PubChem (CID 105428309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).