(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

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Related Compounds

(3R,4R)-oxolane-3,4-diamine;hydrochloride
CID 89488201
(3R,4S)-4-fluorooxan-3-amine
CID 86337690
4-(trifluoromethyl)oxolan-3-amine;hydrochloride
CID 163321398
2-fluorocyclopropan-1-amine
CID 10197614
3-bromo-4-fluorooxolane
CID 131701617
4-aminooxolan-3-olate;rubidium(1+)
CID 142060066
[(3R,4S)-4-aminooxolan-3-yl]methanol
CID 131463106
5-fluorooxan-3-amine
CID 134714853
(3S,4S)-4-[(dimethylamino)methyl]oxolan-3-amine;dihydrochloride
CID 154842546
(3-fluorooxan-4-yl)methanamine
CID 84648187
(3R,4S)-4-methylsulfanyloxolan-3-amine
CID 97303608
(3S,4S)-4-piperidin-1-yloxolan-3-amine;dihydrochloride
CID 122235803

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).