(2S)-2-(fluoromethyl)morpholine-4-carbaldehyde

C6H10FNO2 — CID 167506009

IUPAC(2S)-2-(fluoromethyl)morpholine-4-carbaldehyde
SMILESO=CN1CCO[C@H](CF)C1
InChIInChI=1S/C6H10FNO2/c7-3-6-4-8(5-9)1-2-10-6/h5-6H,1-4H2/t6-/m1/s1
InChIKeyGGTWFFLWNWSZLG-ZCFIWIBFSA-N
MW147.15 g/mol
LogP-0.19
Rot. Bonds2

About (2S)-2-(fluoromethyl)morpholine-4-carbaldehyde

(2S)-2-(fluoromethyl)morpholine-4-carbaldehyde (PubChem CID 167506009) has the molecular formula C6H10FNO2 and a molecular weight of 147.15 g/mol. Its IUPAC name is (2S)-2-(fluoromethyl)morpholine-4-carbaldehyde.

Molecular Properties

Compound Name(2S)-2-(fluoromethyl)morpholine-4-carbaldehyde
PubChem CID167506009
Molecular FormulaC6H10FNO2
Molecular Weight147.15 g/mol
Exact Mass147.07
IUPAC Name(2S)-2-(fluoromethyl)morpholine-4-carbaldehyde
SMILESO=CN1CCO[C@H](CF)C1
InChIInChI=1S/C6H10FNO2/c7-3-6-4-8(5-9)1-2-10-6/h5-6H,1-4H2/t6-/m1/s1
InChIKeyGGTWFFLWNWSZLG-ZCFIWIBFSA-N
XLogP-0.19
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.15
LogP ≤ 5-0.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-(fluoromethyl)morpholine-4-carbaldehyde?
The IUPAC name of (2S)-2-(fluoromethyl)morpholine-4-carbaldehyde (CID 167506009) is (2S)-2-(fluoromethyl)morpholine-4-carbaldehyde.
What is the SMILES notation for (2S)-2-(fluoromethyl)morpholine-4-carbaldehyde?
The canonical SMILES for (2S)-2-(fluoromethyl)morpholine-4-carbaldehyde is O=CN1CCO[C@H](CF)C1.
What is the InChIKey of (2S)-2-(fluoromethyl)morpholine-4-carbaldehyde?
The InChIKey is GGTWFFLWNWSZLG-ZCFIWIBFSA-N. The full InChI is InChI=1S/C6H10FNO2/c7-3-6-4-8(5-9)1-2-10-6/h5-6H,1-4H2/t6-/m1/s1.
What are the key properties of (2S)-2-(fluoromethyl)morpholine-4-carbaldehyde?
(2S)-2-(fluoromethyl)morpholine-4-carbaldehyde has a molecular weight of 147.15 g/mol, XLogP of -0.19, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(fluoromethyl)morpholine-4-carbaldehyde is sourced from PubChem (CID 167506009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).