4-(1,2,2-trifluoro-2-prop-2-enoxyethyl)morpholine

C9H14F3NO2 — CID 131974279

IUPAC4-(1,2,2-trifluoro-2-prop-2-enoxyethyl)morpholine
SMILESC=CCOC(F)(F)C(F)N1CCOCC1
InChIInChI=1S/C9H14F3NO2/c1-2-5-15-9(11,12)8(10)13-3-6-14-7-4-13/h2,8H,1,3-7H2
InChIKeyLSFKUUCWVGKEOL-UHFFFAOYSA-N
MW225.21 g/mol
LogP1.41
Rot. Bonds5

About 4-(1,2,2-trifluoro-2-prop-2-enoxyethyl)morpholine

4-(1,2,2-trifluoro-2-prop-2-enoxyethyl)morpholine (PubChem CID 131974279) has the molecular formula C9H14F3NO2 and a molecular weight of 225.21 g/mol. Its IUPAC name is 4-(1,2,2-trifluoro-2-prop-2-enoxyethyl)morpholine.

Molecular Properties

Compound Name4-(1,2,2-trifluoro-2-prop-2-enoxyethyl)morpholine
PubChem CID131974279
Molecular FormulaC9H14F3NO2
Molecular Weight225.21 g/mol
Exact Mass225.10
IUPAC Name4-(1,2,2-trifluoro-2-prop-2-enoxyethyl)morpholine
SMILESC=CCOC(F)(F)C(F)N1CCOCC1
InChIInChI=1S/C9H14F3NO2/c1-2-5-15-9(11,12)8(10)13-3-6-14-7-4-13/h2,8H,1,3-7H2
InChIKeyLSFKUUCWVGKEOL-UHFFFAOYSA-N
XLogP1.41
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.21
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(1,2,2-trifluoro-2-prop-2-enoxyethyl)morpholine?
The IUPAC name of 4-(1,2,2-trifluoro-2-prop-2-enoxyethyl)morpholine (CID 131974279) is 4-(1,2,2-trifluoro-2-prop-2-enoxyethyl)morpholine.
What is the SMILES notation for 4-(1,2,2-trifluoro-2-prop-2-enoxyethyl)morpholine?
The canonical SMILES for 4-(1,2,2-trifluoro-2-prop-2-enoxyethyl)morpholine is C=CCOC(F)(F)C(F)N1CCOCC1.
What is the InChIKey of 4-(1,2,2-trifluoro-2-prop-2-enoxyethyl)morpholine?
The InChIKey is LSFKUUCWVGKEOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F3NO2/c1-2-5-15-9(11,12)8(10)13-3-6-14-7-4-13/h2,8H,1,3-7H2.
What are the key properties of 4-(1,2,2-trifluoro-2-prop-2-enoxyethyl)morpholine?
4-(1,2,2-trifluoro-2-prop-2-enoxyethyl)morpholine has a molecular weight of 225.21 g/mol, XLogP of 1.41, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,2,2-trifluoro-2-prop-2-enoxyethyl)morpholine is sourced from PubChem (CID 131974279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).