3-fluoro-N-methyl-3-(oxan-3-yl)butan-1-amine

C10H20FNO — CID 105443896

IUPAC3-fluoro-N-methyl-3-(oxan-3-yl)butan-1-amine
SMILESCNCCC(C)(F)C1CCCOC1
InChIInChI=1S/C10H20FNO/c1-10(11,5-6-12-2)9-4-3-7-13-8-9/h9,12H,3-8H2,1-2H3
InChIKeyXKFMPJAAWYIHRV-UHFFFAOYSA-N
MW189.27 g/mol
LogP1.75
Rot. Bonds4

About 3-fluoro-N-methyl-3-(oxan-3-yl)butan-1-amine

3-fluoro-N-methyl-3-(oxan-3-yl)butan-1-amine (PubChem CID 105443896) has the molecular formula C10H20FNO and a molecular weight of 189.27 g/mol. Its IUPAC name is 3-fluoro-N-methyl-3-(oxan-3-yl)butan-1-amine.

Molecular Properties

Compound Name3-fluoro-N-methyl-3-(oxan-3-yl)butan-1-amine
PubChem CID105443896
Molecular FormulaC10H20FNO
Molecular Weight189.27 g/mol
Exact Mass189.15
IUPAC Name3-fluoro-N-methyl-3-(oxan-3-yl)butan-1-amine
SMILESCNCCC(C)(F)C1CCCOC1
InChIInChI=1S/C10H20FNO/c1-10(11,5-6-12-2)9-4-3-7-13-8-9/h9,12H,3-8H2,1-2H3
InChIKeyXKFMPJAAWYIHRV-UHFFFAOYSA-N
XLogP1.75
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.27
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-methyl-3-(oxan-3-yl)butan-1-amine?
The IUPAC name of 3-fluoro-N-methyl-3-(oxan-3-yl)butan-1-amine (CID 105443896) is 3-fluoro-N-methyl-3-(oxan-3-yl)butan-1-amine.
What is the SMILES notation for 3-fluoro-N-methyl-3-(oxan-3-yl)butan-1-amine?
The canonical SMILES for 3-fluoro-N-methyl-3-(oxan-3-yl)butan-1-amine is CNCCC(C)(F)C1CCCOC1.
What is the InChIKey of 3-fluoro-N-methyl-3-(oxan-3-yl)butan-1-amine?
The InChIKey is XKFMPJAAWYIHRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20FNO/c1-10(11,5-6-12-2)9-4-3-7-13-8-9/h9,12H,3-8H2,1-2H3.
What are the key properties of 3-fluoro-N-methyl-3-(oxan-3-yl)butan-1-amine?
3-fluoro-N-methyl-3-(oxan-3-yl)butan-1-amine has a molecular weight of 189.27 g/mol, XLogP of 1.75, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-methyl-3-(oxan-3-yl)butan-1-amine is sourced from PubChem (CID 105443896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).