(2S)-2-fluoro-4-methoxybutan-1-amine

C5H12FNO — CID 129462316

IUPAC(2S)-2-fluoro-4-methoxybutan-1-amine
SMILESCOCC[C@H](F)CN
InChIInChI=1S/C5H12FNO/c1-8-3-2-5(6)4-7/h5H,2-4,7H2,1H3/t5-/m0/s1
InChIKeySOUWXKBOYDWJGX-YFKPBYRVSA-N
MW121.15 g/mol
LogP0.32
Rot. Bonds4

About (2S)-2-fluoro-4-methoxybutan-1-amine

(2S)-2-fluoro-4-methoxybutan-1-amine (PubChem CID 129462316) has the molecular formula C5H12FNO and a molecular weight of 121.15 g/mol. Its IUPAC name is (2S)-2-fluoro-4-methoxybutan-1-amine.

Molecular Properties

Compound Name(2S)-2-fluoro-4-methoxybutan-1-amine
PubChem CID129462316
Molecular FormulaC5H12FNO
Molecular Weight121.15 g/mol
Exact Mass121.09
IUPAC Name(2S)-2-fluoro-4-methoxybutan-1-amine
SMILESCOCC[C@H](F)CN
InChIInChI=1S/C5H12FNO/c1-8-3-2-5(6)4-7/h5H,2-4,7H2,1H3/t5-/m0/s1
InChIKeySOUWXKBOYDWJGX-YFKPBYRVSA-N
XLogP0.32
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500121.15
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-fluoro-4-methoxybutan-1-amine?
The IUPAC name of (2S)-2-fluoro-4-methoxybutan-1-amine (CID 129462316) is (2S)-2-fluoro-4-methoxybutan-1-amine.
What is the SMILES notation for (2S)-2-fluoro-4-methoxybutan-1-amine?
The canonical SMILES for (2S)-2-fluoro-4-methoxybutan-1-amine is COCC[C@H](F)CN.
What is the InChIKey of (2S)-2-fluoro-4-methoxybutan-1-amine?
The InChIKey is SOUWXKBOYDWJGX-YFKPBYRVSA-N. The full InChI is InChI=1S/C5H12FNO/c1-8-3-2-5(6)4-7/h5H,2-4,7H2,1H3/t5-/m0/s1.
What are the key properties of (2S)-2-fluoro-4-methoxybutan-1-amine?
(2S)-2-fluoro-4-methoxybutan-1-amine has a molecular weight of 121.15 g/mol, XLogP of 0.32, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-fluoro-4-methoxybutan-1-amine is sourced from PubChem (CID 129462316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).