3-fluorooxan-4-amine

C5H10FNO — CID 66628594

IUPAC3-fluorooxan-4-amine
SMILESNC1CCOCC1F
InChIInChI=1S/C5H10FNO/c6-4-3-8-2-1-5(4)7/h4-5H,1-3,7H2
InChIKeyRTWSYKYQHQVELW-UHFFFAOYSA-N
MW119.14 g/mol
LogP0.07
Rot. Bonds

About 3-fluorooxan-4-amine

3-fluorooxan-4-amine (PubChem CID 66628594) has the molecular formula C5H10FNO and a molecular weight of 119.14 g/mol. Its IUPAC name is 3-fluorooxan-4-amine.

Molecular Properties

Compound Name3-fluorooxan-4-amine
PubChem CID66628594
Molecular FormulaC5H10FNO
Molecular Weight119.14 g/mol
Exact Mass119.07
IUPAC Name3-fluorooxan-4-amine
SMILESNC1CCOCC1F
InChIInChI=1S/C5H10FNO/c6-4-3-8-2-1-5(4)7/h4-5H,1-3,7H2
InChIKeyRTWSYKYQHQVELW-UHFFFAOYSA-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 3-fluorooxan-4-amine?
The IUPAC name of 3-fluorooxan-4-amine (CID 66628594) is 3-fluorooxan-4-amine.
What is the SMILES notation for 3-fluorooxan-4-amine?
The canonical SMILES for 3-fluorooxan-4-amine is NC1CCOCC1F.
What is the InChIKey of 3-fluorooxan-4-amine?
The InChIKey is RTWSYKYQHQVELW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10FNO/c6-4-3-8-2-1-5(4)7/h4-5H,1-3,7H2.
What are the key properties of 3-fluorooxan-4-amine?
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 3-fluorooxan-4-amine is sourced from PubChem (CID 66628594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).