1-(3-fluoro-4-methyloxan-2-yl)ethanamine

C8H16FNO — CID 142537579

IUPAC1-(3-fluoro-4-methyloxan-2-yl)ethanamine
SMILESCC(N)C1OCCC(C)C1F
InChIInChI=1S/C8H16FNO/c1-5-3-4-11-8(6(2)10)7(5)9/h5-8H,3-4,10H2,1-2H3
InChIKeyKTTVSFYRVYYMLH-UHFFFAOYSA-N
MW161.22 g/mol
LogP1.10
Rot. Bonds1

About 1-(3-fluoro-4-methyloxan-2-yl)ethanamine

1-(3-fluoro-4-methyloxan-2-yl)ethanamine (PubChem CID 142537579) has the molecular formula C8H16FNO and a molecular weight of 161.22 g/mol. Its IUPAC name is 1-(3-fluoro-4-methyloxan-2-yl)ethanamine.

Molecular Properties

Compound Name1-(3-fluoro-4-methyloxan-2-yl)ethanamine
PubChem CID142537579
Molecular FormulaC8H16FNO
Molecular Weight161.22 g/mol
Exact Mass161.12
IUPAC Name1-(3-fluoro-4-methyloxan-2-yl)ethanamine
SMILESCC(N)C1OCCC(C)C1F
InChIInChI=1S/C8H16FNO/c1-5-3-4-11-8(6(2)10)7(5)9/h5-8H,3-4,10H2,1-2H3
InChIKeyKTTVSFYRVYYMLH-UHFFFAOYSA-N
XLogP1.10
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.22
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-4-methyloxan-2-yl)ethanamine?
The IUPAC name of 1-(3-fluoro-4-methyloxan-2-yl)ethanamine (CID 142537579) is 1-(3-fluoro-4-methyloxan-2-yl)ethanamine.
What is the SMILES notation for 1-(3-fluoro-4-methyloxan-2-yl)ethanamine?
The canonical SMILES for 1-(3-fluoro-4-methyloxan-2-yl)ethanamine is CC(N)C1OCCC(C)C1F.
What is the InChIKey of 1-(3-fluoro-4-methyloxan-2-yl)ethanamine?
The InChIKey is KTTVSFYRVYYMLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16FNO/c1-5-3-4-11-8(6(2)10)7(5)9/h5-8H,3-4,10H2,1-2H3.
What are the key properties of 1-(3-fluoro-4-methyloxan-2-yl)ethanamine?
1-(3-fluoro-4-methyloxan-2-yl)ethanamine has a molecular weight of 161.22 g/mol, XLogP of 1.10, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-4-methyloxan-2-yl)ethanamine is sourced from PubChem (CID 142537579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).