2,6-difluoro-2-[(E)-prop-1-enyl]-6-prop-1-en-2-ylmorpholine

C10H15F2NO — CID 167213905

IUPAC2,6-difluoro-2-[(E)-prop-1-enyl]-6-prop-1-en-2-ylmorpholine
SMILESC=C(C)C1(F)CNCC(F)(/C=C/C)O1
InChIInChI=1S/C10H15F2NO/c1-4-5-9(11)6-13-7-10(12,14-9)8(2)3/h4-5,13H,2,6-7H2,1,3H3/b5-4+
InChIKeyYGXUYNRGFJQKHX-SNAWJCMRSA-N
MW203.23 g/mol
LogP2.09
Rot. Bonds2

About 2,6-difluoro-2-[(E)-prop-1-enyl]-6-prop-1-en-2-ylmorpholine

2,6-difluoro-2-[(E)-prop-1-enyl]-6-prop-1-en-2-ylmorpholine (PubChem CID 167213905) has the molecular formula C10H15F2NO and a molecular weight of 203.23 g/mol. Its IUPAC name is 2,6-difluoro-2-[(E)-prop-1-enyl]-6-prop-1-en-2-ylmorpholine.

Molecular Properties

Compound Name2,6-difluoro-2-[(E)-prop-1-enyl]-6-prop-1-en-2-ylmorpholine
PubChem CID167213905
Molecular FormulaC10H15F2NO
Molecular Weight203.23 g/mol
Exact Mass203.11
IUPAC Name2,6-difluoro-2-[(E)-prop-1-enyl]-6-prop-1-en-2-ylmorpholine
SMILESC=C(C)C1(F)CNCC(F)(/C=C/C)O1
InChIInChI=1S/C10H15F2NO/c1-4-5-9(11)6-13-7-10(12,14-9)8(2)3/h4-5,13H,2,6-7H2,1,3H3/b5-4+
InChIKeyYGXUYNRGFJQKHX-SNAWJCMRSA-N
XLogP2.09
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.23
LogP ≤ 52.09
H-Bond Donors ≤ 51
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 2,6-difluoro-2-[(E)-prop-1-enyl]-6-prop-1-en-2-ylmorpholine?
The IUPAC name of 2,6-difluoro-2-[(E)-prop-1-enyl]-6-prop-1-en-2-ylmorpholine (CID 167213905) is 2,6-difluoro-2-[(E)-prop-1-enyl]-6-prop-1-en-2-ylmorpholine.
What is the SMILES notation for 2,6-difluoro-2-[(E)-prop-1-enyl]-6-prop-1-en-2-ylmorpholine?
The canonical SMILES for 2,6-difluoro-2-[(E)-prop-1-enyl]-6-prop-1-en-2-ylmorpholine is C=C(C)C1(F)CNCC(F)(/C=C/C)O1.
What is the InChIKey of 2,6-difluoro-2-[(E)-prop-1-enyl]-6-prop-1-en-2-ylmorpholine?
The InChIKey is YGXUYNRGFJQKHX-SNAWJCMRSA-N. The full InChI is InChI=1S/C10H15F2NO/c1-4-5-9(11)6-13-7-10(12,14-9)8(2)3/h4-5,13H,2,6-7H2,1,3H3/b5-4+.
What are the key properties of 2,6-difluoro-2-[(E)-prop-1-enyl]-6-prop-1-en-2-ylmorpholine?
2,6-difluoro-2-[(E)-prop-1-enyl]-6-prop-1-en-2-ylmorpholine has a molecular weight of 203.23 g/mol, XLogP of 2.09, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-2-[(E)-prop-1-enyl]-6-prop-1-en-2-ylmorpholine is sourced from PubChem (CID 167213905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).