(2S)-2-fluoro-1-methoxybutane

C5H11FO — CID 149174257

IUPAC(2S)-2-fluoro-1-methoxybutane
SMILESCC[C@H](F)COC
InChIInChI=1S/C5H11FO/c1-3-5(6)4-7-2/h5H,3-4H2,1-2H3/t5-/m0/s1
InChIKeyWZQVIHSKEKBWSC-YFKPBYRVSA-N
MW106.14 g/mol
LogP1.38
Rot. Bonds3

About (2S)-2-fluoro-1-methoxybutane

(2S)-2-fluoro-1-methoxybutane (PubChem CID 149174257) has the molecular formula C5H11FO and a molecular weight of 106.14 g/mol. Its IUPAC name is (2S)-2-fluoro-1-methoxybutane.

Molecular Properties

Compound Name(2S)-2-fluoro-1-methoxybutane
PubChem CID149174257
Molecular FormulaC5H11FO
Molecular Weight106.14 g/mol
Exact Mass106.08
IUPAC Name(2S)-2-fluoro-1-methoxybutane
SMILESCC[C@H](F)COC
InChIInChI=1S/C5H11FO/c1-3-5(6)4-7-2/h5H,3-4H2,1-2H3/t5-/m0/s1
InChIKeyWZQVIHSKEKBWSC-YFKPBYRVSA-N
XLogP1.38
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500106.14
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-fluoro-1-methoxybutane?
The IUPAC name of (2S)-2-fluoro-1-methoxybutane (CID 149174257) is (2S)-2-fluoro-1-methoxybutane.
What is the SMILES notation for (2S)-2-fluoro-1-methoxybutane?
The canonical SMILES for (2S)-2-fluoro-1-methoxybutane is CC[C@H](F)COC.
What is the InChIKey of (2S)-2-fluoro-1-methoxybutane?
The InChIKey is WZQVIHSKEKBWSC-YFKPBYRVSA-N. The full InChI is InChI=1S/C5H11FO/c1-3-5(6)4-7-2/h5H,3-4H2,1-2H3/t5-/m0/s1.
What are the key properties of (2S)-2-fluoro-1-methoxybutane?
(2S)-2-fluoro-1-methoxybutane has a molecular weight of 106.14 g/mol, XLogP of 1.38, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-fluoro-1-methoxybutane is sourced from PubChem (CID 149174257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).