1-fluoro-3-methoxy-N-methylpropan-2-amine

C5H12FNO — CID 58702764

IUPAC1-fluoro-3-methoxy-N-methylpropan-2-amine
SMILESCNC(CF)COC
InChIInChI=1S/C5H12FNO/c1-7-5(3-6)4-8-2/h5,7H,3-4H2,1-2H3
InChIKeyURQVBYCRRGUTOV-UHFFFAOYSA-N
MW121.16 g/mol
LogP0.19
Rot. Bonds4

About 1-fluoro-3-methoxy-N-methylpropan-2-amine

1-fluoro-3-methoxy-N-methylpropan-2-amine (PubChem CID 58702764) has the molecular formula C5H12FNO and a molecular weight of 121.16 g/mol. Its IUPAC name is 1-fluoro-3-methoxy-N-methylpropan-2-amine.

Molecular Properties

Compound Name1-fluoro-3-methoxy-N-methylpropan-2-amine
PubChem CID58702764
Molecular FormulaC5H12FNO
Molecular Weight121.16 g/mol
Exact Mass121.09
IUPAC Name1-fluoro-3-methoxy-N-methylpropan-2-amine
SMILESCNC(CF)COC
InChIInChI=1S/C5H12FNO/c1-7-5(3-6)4-8-2/h5,7H,3-4H2,1-2H3
InChIKeyURQVBYCRRGUTOV-UHFFFAOYSA-N
XLogP0.19
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500121.16
LogP ≤ 50.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-fluoro-3-methoxy-N-methylpropan-2-amine?
The IUPAC name of 1-fluoro-3-methoxy-N-methylpropan-2-amine (CID 58702764) is 1-fluoro-3-methoxy-N-methylpropan-2-amine.
What is the SMILES notation for 1-fluoro-3-methoxy-N-methylpropan-2-amine?
The canonical SMILES for 1-fluoro-3-methoxy-N-methylpropan-2-amine is CNC(CF)COC.
What is the InChIKey of 1-fluoro-3-methoxy-N-methylpropan-2-amine?
The InChIKey is URQVBYCRRGUTOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12FNO/c1-7-5(3-6)4-8-2/h5,7H,3-4H2,1-2H3.
What are the key properties of 1-fluoro-3-methoxy-N-methylpropan-2-amine?
1-fluoro-3-methoxy-N-methylpropan-2-amine has a molecular weight of 121.16 g/mol, XLogP of 0.19, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-3-methoxy-N-methylpropan-2-amine is sourced from PubChem (CID 58702764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).