6-(1-amino-2-fluoroethyl)oxan-3-amine

C7H15FN2O — CID 142537491

IUPAC6-(1-amino-2-fluoroethyl)oxan-3-amine
SMILESNC1CCC(C(N)CF)OC1
InChIInChI=1S/C7H15FN2O/c8-3-6(10)7-2-1-5(9)4-11-7/h5-7H,1-4,9-10H2
InChIKeyNHRVPCGOLNLPOP-UHFFFAOYSA-N
MW162.21 g/mol
LogP-0.21
Rot. Bonds2

About 6-(1-amino-2-fluoroethyl)oxan-3-amine

6-(1-amino-2-fluoroethyl)oxan-3-amine (PubChem CID 142537491) has the molecular formula C7H15FN2O and a molecular weight of 162.21 g/mol. Its IUPAC name is 6-(1-amino-2-fluoroethyl)oxan-3-amine.

Molecular Properties

Compound Name6-(1-amino-2-fluoroethyl)oxan-3-amine
PubChem CID142537491
Molecular FormulaC7H15FN2O
Molecular Weight162.21 g/mol
Exact Mass162.12
IUPAC Name6-(1-amino-2-fluoroethyl)oxan-3-amine
SMILESNC1CCC(C(N)CF)OC1
InChIInChI=1S/C7H15FN2O/c8-3-6(10)7-2-1-5(9)4-11-7/h5-7H,1-4,9-10H2
InChIKeyNHRVPCGOLNLPOP-UHFFFAOYSA-N
XLogP-0.21
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.21
LogP ≤ 5-0.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(1-amino-2-fluoroethyl)oxan-3-amine?
The IUPAC name of 6-(1-amino-2-fluoroethyl)oxan-3-amine (CID 142537491) is 6-(1-amino-2-fluoroethyl)oxan-3-amine.
What is the SMILES notation for 6-(1-amino-2-fluoroethyl)oxan-3-amine?
The canonical SMILES for 6-(1-amino-2-fluoroethyl)oxan-3-amine is NC1CCC(C(N)CF)OC1.
What is the InChIKey of 6-(1-amino-2-fluoroethyl)oxan-3-amine?
The InChIKey is NHRVPCGOLNLPOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15FN2O/c8-3-6(10)7-2-1-5(9)4-11-7/h5-7H,1-4,9-10H2.
What are the key properties of 6-(1-amino-2-fluoroethyl)oxan-3-amine?
6-(1-amino-2-fluoroethyl)oxan-3-amine has a molecular weight of 162.21 g/mol, XLogP of -0.21, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-amino-2-fluoroethyl)oxan-3-amine is sourced from PubChem (CID 142537491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).