(3R,4S)-4-fluorooxan-3-amine

C5H10FNO — CID 86337690

IUPAC(3R,4S)-4-fluorooxan-3-amine
SMILESN[C@@H]1COCC[C@@H]1F
InChIInChI=1S/C5H10FNO/c6-4-1-2-8-3-5(4)7/h4-5H,1-3,7H2/t4-,5+/m0/s1
InChIKeyNMAXCYNKJLHMPY-CRCLSJGQSA-N
MW119.14 g/mol
LogP0.07
Rot. Bonds

About (3R,4S)-4-fluorooxan-3-amine

(3R,4S)-4-fluorooxan-3-amine (PubChem CID 86337690) has the molecular formula C5H10FNO and a molecular weight of 119.14 g/mol. Its IUPAC name is (3R,4S)-4-fluorooxan-3-amine.

Molecular Properties

Compound Name(3R,4S)-4-fluorooxan-3-amine
PubChem CID86337690
Molecular FormulaC5H10FNO
Molecular Weight119.14 g/mol
Exact Mass119.07
IUPAC Name(3R,4S)-4-fluorooxan-3-amine
SMILESN[C@@H]1COCC[C@@H]1F
InChIInChI=1S/C5H10FNO/c6-4-1-2-8-3-5(4)7/h4-5H,1-3,7H2/t4-,5+/m0/s1
InChIKeyNMAXCYNKJLHMPY-CRCLSJGQSA-N
XLogP0.07
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500119.14
LogP ≤ 50.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3R,4S)-4-fluorooxolan-3-amine;hydrochloride
CID 139027088
(3-fluorooxan-4-yl)methanamine
CID 84648187
4-N-propan-2-yloxane-3,4-diamine
CID 71741908
azane;4-cyclopropyloxan-3-amine;dihydrochloride
CID 67359568
1-[(3S,4R)-3-fluorooxan-4-yl]piperidin-4-amine
CID 118454807
N-(3-aminooxan-4-yl)acetamide
CID 83619330
(3R,4S)-4-(2-azabicyclo[3.1.0]hexan-2-yl)oxan-3-amine
CID 130942023
(3S,4S)-3-fluoro-4-methyloxane;molecular hydrogen
CID 177003690
2-(oxan-4-yl)oxolan-3-amine
CID 79365317
azane;4-cyclohexyloxan-3-amine;hydrochloride
CID 67358979
(3R,4S)-4-piperidin-1-yloxan-3-amine
CID 67361386
(3R,4R)-oxolane-3,4-diamine;hydrochloride
CID 89488201

Frequently Asked Questions

What is the IUPAC name of (3R,4S)-4-fluorooxan-3-amine?
The IUPAC name of (3R,4S)-4-fluorooxan-3-amine (CID 86337690) is (3R,4S)-4-fluorooxan-3-amine.
What is the SMILES notation for (3R,4S)-4-fluorooxan-3-amine?
The canonical SMILES for (3R,4S)-4-fluorooxan-3-amine is N[C@@H]1COCC[C@@H]1F.
What is the InChIKey of (3R,4S)-4-fluorooxan-3-amine?
The InChIKey is NMAXCYNKJLHMPY-CRCLSJGQSA-N. The full InChI is InChI=1S/C5H10FNO/c6-4-1-2-8-3-5(4)7/h4-5H,1-3,7H2/t4-,5+/m0/s1.
What are the key properties of (3R,4S)-4-fluorooxan-3-amine?
(3R,4S)-4-fluorooxan-3-amine has a molecular weight of 119.14 g/mol, XLogP of 0.07, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-4-fluorooxan-3-amine is sourced from PubChem (CID 86337690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).