(3S)-4-(2,2,2-trifluoroethyl)morpholine-3-carbaldehyde

C7H10F3NO2 — CID 134571050

IUPAC(3S)-4-(2,2,2-trifluoroethyl)morpholine-3-carbaldehyde
SMILESO=C[C@@H]1COCCN1CC(F)(F)F
InChIInChI=1S/C7H10F3NO2/c8-7(9,10)5-11-1-2-13-4-6(11)3-12/h3,6H,1-2,4-5H2/t6-/m1/s1
InChIKeyJAXXGEQWRHJJII-ZCFIWIBFSA-N
MW197.16 g/mol
LogP0.45
Rot. Bonds2

About (3S)-4-(2,2,2-trifluoroethyl)morpholine-3-carbaldehyde

(3S)-4-(2,2,2-trifluoroethyl)morpholine-3-carbaldehyde (PubChem CID 134571050) has the molecular formula C7H10F3NO2 and a molecular weight of 197.16 g/mol. Its IUPAC name is (3S)-4-(2,2,2-trifluoroethyl)morpholine-3-carbaldehyde.

Molecular Properties

Compound Name(3S)-4-(2,2,2-trifluoroethyl)morpholine-3-carbaldehyde
PubChem CID134571050
Molecular FormulaC7H10F3NO2
Molecular Weight197.16 g/mol
Exact Mass197.07
IUPAC Name(3S)-4-(2,2,2-trifluoroethyl)morpholine-3-carbaldehyde
SMILESO=C[C@@H]1COCCN1CC(F)(F)F
InChIInChI=1S/C7H10F3NO2/c8-7(9,10)5-11-1-2-13-4-6(11)3-12/h3,6H,1-2,4-5H2/t6-/m1/s1
InChIKeyJAXXGEQWRHJJII-ZCFIWIBFSA-N
XLogP0.45
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.16
LogP ≤ 50.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3S)-4-(2,2,2-trifluoroethyl)morpholine-3-carbaldehyde?
The IUPAC name of (3S)-4-(2,2,2-trifluoroethyl)morpholine-3-carbaldehyde (CID 134571050) is (3S)-4-(2,2,2-trifluoroethyl)morpholine-3-carbaldehyde.
What is the SMILES notation for (3S)-4-(2,2,2-trifluoroethyl)morpholine-3-carbaldehyde?
The canonical SMILES for (3S)-4-(2,2,2-trifluoroethyl)morpholine-3-carbaldehyde is O=C[C@@H]1COCCN1CC(F)(F)F.
What is the InChIKey of (3S)-4-(2,2,2-trifluoroethyl)morpholine-3-carbaldehyde?
The InChIKey is JAXXGEQWRHJJII-ZCFIWIBFSA-N. The full InChI is InChI=1S/C7H10F3NO2/c8-7(9,10)5-11-1-2-13-4-6(11)3-12/h3,6H,1-2,4-5H2/t6-/m1/s1.
What are the key properties of (3S)-4-(2,2,2-trifluoroethyl)morpholine-3-carbaldehyde?
(3S)-4-(2,2,2-trifluoroethyl)morpholine-3-carbaldehyde has a molecular weight of 197.16 g/mol, XLogP of 0.45, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-4-(2,2,2-trifluoroethyl)morpholine-3-carbaldehyde is sourced from PubChem (CID 134571050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).