4-(1,1,1-trifluoropent-4-en-2-yl)morpholine

C9H14F3NO — CID 10798447

IUPAC4-(1,1,1-trifluoropent-4-en-2-yl)morpholine
SMILESC=CCC(N1CCOCC1)C(F)(F)F
InChIInChI=1S/C9H14F3NO/c1-2-3-8(9(10,11)12)13-4-6-14-7-5-13/h2,8H,1,3-7H2
InChIKeyYBJNLTFVJIQJGS-UHFFFAOYSA-N
MW209.21 g/mol
LogP1.83
Rot. Bonds3

About 4-(1,1,1-trifluoropent-4-en-2-yl)morpholine

4-(1,1,1-trifluoropent-4-en-2-yl)morpholine (PubChem CID 10798447) has the molecular formula C9H14F3NO and a molecular weight of 209.21 g/mol. Its IUPAC name is 4-(1,1,1-trifluoropent-4-en-2-yl)morpholine.

Molecular Properties

Compound Name4-(1,1,1-trifluoropent-4-en-2-yl)morpholine
PubChem CID10798447
Molecular FormulaC9H14F3NO
Molecular Weight209.21 g/mol
Exact Mass209.10
IUPAC Name4-(1,1,1-trifluoropent-4-en-2-yl)morpholine
SMILESC=CCC(N1CCOCC1)C(F)(F)F
InChIInChI=1S/C9H14F3NO/c1-2-3-8(9(10,11)12)13-4-6-14-7-5-13/h2,8H,1,3-7H2
InChIKeyYBJNLTFVJIQJGS-UHFFFAOYSA-N
XLogP1.83
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.21
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(1,1,1-trifluoropent-4-en-2-yl)morpholine?
The IUPAC name of 4-(1,1,1-trifluoropent-4-en-2-yl)morpholine (CID 10798447) is 4-(1,1,1-trifluoropent-4-en-2-yl)morpholine.
What is the SMILES notation for 4-(1,1,1-trifluoropent-4-en-2-yl)morpholine?
The canonical SMILES for 4-(1,1,1-trifluoropent-4-en-2-yl)morpholine is C=CCC(N1CCOCC1)C(F)(F)F.
What is the InChIKey of 4-(1,1,1-trifluoropent-4-en-2-yl)morpholine?
The InChIKey is YBJNLTFVJIQJGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F3NO/c1-2-3-8(9(10,11)12)13-4-6-14-7-5-13/h2,8H,1,3-7H2.
What are the key properties of 4-(1,1,1-trifluoropent-4-en-2-yl)morpholine?
4-(1,1,1-trifluoropent-4-en-2-yl)morpholine has a molecular weight of 209.21 g/mol, XLogP of 1.83, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,1,1-trifluoropent-4-en-2-yl)morpholine is sourced from PubChem (CID 10798447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).