4-[4-(trifluoromethyl)pent-4-enyl]morpholine

C10H16F3NO — CID 146168644

IUPAC4-[4-(trifluoromethyl)pent-4-enyl]morpholine
SMILESC=C(CCCN1CCOCC1)C(F)(F)F
InChIInChI=1S/C10H16F3NO/c1-9(10(11,12)13)3-2-4-14-5-7-15-8-6-14/h1-8H2
InChIKeyZGEDLOQTOXPJCY-UHFFFAOYSA-N
MW223.24 g/mol
LogP2.22
Rot. Bonds4

About 4-[4-(trifluoromethyl)pent-4-enyl]morpholine

4-[4-(trifluoromethyl)pent-4-enyl]morpholine (PubChem CID 146168644) has the molecular formula C10H16F3NO and a molecular weight of 223.24 g/mol. Its IUPAC name is 4-[4-(trifluoromethyl)pent-4-enyl]morpholine.

Molecular Properties

Compound Name4-[4-(trifluoromethyl)pent-4-enyl]morpholine
PubChem CID146168644
Molecular FormulaC10H16F3NO
Molecular Weight223.24 g/mol
Exact Mass223.12
IUPAC Name4-[4-(trifluoromethyl)pent-4-enyl]morpholine
SMILESC=C(CCCN1CCOCC1)C(F)(F)F
InChIInChI=1S/C10H16F3NO/c1-9(10(11,12)13)3-2-4-14-5-7-15-8-6-14/h1-8H2
InChIKeyZGEDLOQTOXPJCY-UHFFFAOYSA-N
XLogP2.22
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.24
LogP ≤ 52.22
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-[4-(trifluoromethyl)pent-4-enyl]morpholine?
The IUPAC name of 4-[4-(trifluoromethyl)pent-4-enyl]morpholine (CID 146168644) is 4-[4-(trifluoromethyl)pent-4-enyl]morpholine.
What is the SMILES notation for 4-[4-(trifluoromethyl)pent-4-enyl]morpholine?
The canonical SMILES for 4-[4-(trifluoromethyl)pent-4-enyl]morpholine is C=C(CCCN1CCOCC1)C(F)(F)F.
What is the InChIKey of 4-[4-(trifluoromethyl)pent-4-enyl]morpholine?
The InChIKey is ZGEDLOQTOXPJCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3NO/c1-9(10(11,12)13)3-2-4-14-5-7-15-8-6-14/h1-8H2.
What are the key properties of 4-[4-(trifluoromethyl)pent-4-enyl]morpholine?
4-[4-(trifluoromethyl)pent-4-enyl]morpholine has a molecular weight of 223.24 g/mol, XLogP of 2.22, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(trifluoromethyl)pent-4-enyl]morpholine is sourced from PubChem (CID 146168644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).