(2S)-1-fluoro-3-methoxypropan-2-amine

C4H10FNO — CID 22789989

IUPAC(2S)-1-fluoro-3-methoxypropan-2-amine
SMILESCOC[C@H](N)CF
InChIInChI=1S/C4H10FNO/c1-7-3-4(6)2-5/h4H,2-3,6H2,1H3/t4-/m1/s1
InChIKeyQICPZZSTTKOEAL-SCSAIBSYSA-N
MW107.13 g/mol
LogP-0.07
Rot. Bonds3

About (2S)-1-fluoro-3-methoxypropan-2-amine

(2S)-1-fluoro-3-methoxypropan-2-amine (PubChem CID 22789989) has the molecular formula C4H10FNO and a molecular weight of 107.13 g/mol. Its IUPAC name is (2S)-1-fluoro-3-methoxypropan-2-amine.

Molecular Properties

Compound Name(2S)-1-fluoro-3-methoxypropan-2-amine
PubChem CID22789989
Molecular FormulaC4H10FNO
Molecular Weight107.13 g/mol
Exact Mass107.07
IUPAC Name(2S)-1-fluoro-3-methoxypropan-2-amine
SMILESCOC[C@H](N)CF
InChIInChI=1S/C4H10FNO/c1-7-3-4(6)2-5/h4H,2-3,6H2,1H3/t4-/m1/s1
InChIKeyQICPZZSTTKOEAL-SCSAIBSYSA-N
XLogP-0.07
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500107.13
LogP ≤ 5-0.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-fluoro-3-methoxypropan-2-amine?
The IUPAC name of (2S)-1-fluoro-3-methoxypropan-2-amine (CID 22789989) is (2S)-1-fluoro-3-methoxypropan-2-amine.
What is the SMILES notation for (2S)-1-fluoro-3-methoxypropan-2-amine?
The canonical SMILES for (2S)-1-fluoro-3-methoxypropan-2-amine is COC[C@H](N)CF.
What is the InChIKey of (2S)-1-fluoro-3-methoxypropan-2-amine?
The InChIKey is QICPZZSTTKOEAL-SCSAIBSYSA-N. The full InChI is InChI=1S/C4H10FNO/c1-7-3-4(6)2-5/h4H,2-3,6H2,1H3/t4-/m1/s1.
What are the key properties of (2S)-1-fluoro-3-methoxypropan-2-amine?
(2S)-1-fluoro-3-methoxypropan-2-amine has a molecular weight of 107.13 g/mol, XLogP of -0.07, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-fluoro-3-methoxypropan-2-amine is sourced from PubChem (CID 22789989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).