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

C5H10FNO — CID 86336062

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

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

(3R,4R)-3-fluorooxan-4-amine (PubChem CID 86336062) has the molecular formula C5H10FNO and a molecular weight of 119.14 g/mol. Its IUPAC name is (3R,4R)-3-fluorooxan-4-amine.

Molecular Properties

Compound Name(3R,4R)-3-fluorooxan-4-amine
PubChem CID86336062
Molecular FormulaC5H10FNO
Molecular Weight119.14 g/mol
Exact Mass119.07
IUPAC Name(3R,4R)-3-fluorooxan-4-amine
SMILESN[C@@H]1CCOC[C@@H]1F
InChIInChI=1S/C5H10FNO/c6-4-3-8-2-1-5(4)7/h4-5H,1-3,7H2/t4-,5+/m0/s1
InChIKeyRTWSYKYQHQVELW-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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Frequently Asked Questions

What is the IUPAC name of (3R,4R)-3-fluorooxan-4-amine?
The IUPAC name of (3R,4R)-3-fluorooxan-4-amine (CID 86336062) is (3R,4R)-3-fluorooxan-4-amine.
What is the SMILES notation for (3R,4R)-3-fluorooxan-4-amine?
The canonical SMILES for (3R,4R)-3-fluorooxan-4-amine is N[C@@H]1CCOC[C@@H]1F.
What is the InChIKey of (3R,4R)-3-fluorooxan-4-amine?
The InChIKey is RTWSYKYQHQVELW-CRCLSJGQSA-N. The full InChI is InChI=1S/C5H10FNO/c6-4-3-8-2-1-5(4)7/h4-5H,1-3,7H2/t4-,5+/m0/s1.
What are the key properties of (3R,4R)-3-fluorooxan-4-amine?
(3R,4R)-3-fluorooxan-4-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,4R)-3-fluorooxan-4-amine is sourced from PubChem (CID 86336062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).