[3-(1-fluoroethyl)oxetan-3-yl]methanamine

C6H12FNO — CID 105427726

IUPAC[3-(1-fluoroethyl)oxetan-3-yl]methanamine
SMILESCC(F)C1(CN)COC1
InChIInChI=1S/C6H12FNO/c1-5(7)6(2-8)3-9-4-6/h5H,2-4,8H2,1H3
InChIKeySVJJZIVUSHECMP-UHFFFAOYSA-N
MW133.17 g/mol
LogP0.32
Rot. Bonds2

About [3-(1-fluoroethyl)oxetan-3-yl]methanamine

[3-(1-fluoroethyl)oxetan-3-yl]methanamine (PubChem CID 105427726) has the molecular formula C6H12FNO and a molecular weight of 133.17 g/mol. Its IUPAC name is [3-(1-fluoroethyl)oxetan-3-yl]methanamine.

Molecular Properties

Compound Name[3-(1-fluoroethyl)oxetan-3-yl]methanamine
PubChem CID105427726
Molecular FormulaC6H12FNO
Molecular Weight133.17 g/mol
Exact Mass133.09
IUPAC Name[3-(1-fluoroethyl)oxetan-3-yl]methanamine
SMILESCC(F)C1(CN)COC1
InChIInChI=1S/C6H12FNO/c1-5(7)6(2-8)3-9-4-6/h5H,2-4,8H2,1H3
InChIKeySVJJZIVUSHECMP-UHFFFAOYSA-N
XLogP0.32
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.17
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [3-(1-fluoroethyl)oxetan-3-yl]methanamine?
The IUPAC name of [3-(1-fluoroethyl)oxetan-3-yl]methanamine (CID 105427726) is [3-(1-fluoroethyl)oxetan-3-yl]methanamine.
What is the SMILES notation for [3-(1-fluoroethyl)oxetan-3-yl]methanamine?
The canonical SMILES for [3-(1-fluoroethyl)oxetan-3-yl]methanamine is CC(F)C1(CN)COC1.
What is the InChIKey of [3-(1-fluoroethyl)oxetan-3-yl]methanamine?
The InChIKey is SVJJZIVUSHECMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12FNO/c1-5(7)6(2-8)3-9-4-6/h5H,2-4,8H2,1H3.
What are the key properties of [3-(1-fluoroethyl)oxetan-3-yl]methanamine?
[3-(1-fluoroethyl)oxetan-3-yl]methanamine has a molecular weight of 133.17 g/mol, XLogP of 0.32, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(1-fluoroethyl)oxetan-3-yl]methanamine is sourced from PubChem (CID 105427726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).