4-methyl-4-[(Z)-2,3,3-trifluoroprop-1-enyl]morpholin-4-ium

C8H13F3NO+ — CID 71572525

IUPAC4-methyl-4-[(Z)-2,3,3-trifluoroprop-1-enyl]morpholin-4-ium
SMILESC[N+]1(/C=C(\F)C(F)F)CCOCC1
InChIInChI=1S/C8H13F3NO/c1-12(2-4-13-5-3-12)6-7(9)8(10)11/h6,8H,2-5H2,1H3/q+1/b7-6-
InChIKeyYIYNDJXTSBQZSL-SREVYHEPSA-N
MW196.19 g/mol
LogP1.54
Rot. Bonds2

About 4-methyl-4-[(Z)-2,3,3-trifluoroprop-1-enyl]morpholin-4-ium

4-methyl-4-[(Z)-2,3,3-trifluoroprop-1-enyl]morpholin-4-ium (PubChem CID 71572525) has the molecular formula C8H13F3NO+ and a molecular weight of 196.19 g/mol. Its IUPAC name is 4-methyl-4-[(Z)-2,3,3-trifluoroprop-1-enyl]morpholin-4-ium.

Molecular Properties

Compound Name4-methyl-4-[(Z)-2,3,3-trifluoroprop-1-enyl]morpholin-4-ium
PubChem CID71572525
Molecular FormulaC8H13F3NO+
Molecular Weight196.19 g/mol
Exact Mass196.09
IUPAC Name4-methyl-4-[(Z)-2,3,3-trifluoroprop-1-enyl]morpholin-4-ium
SMILESC[N+]1(/C=C(\F)C(F)F)CCOCC1
InChIInChI=1S/C8H13F3NO/c1-12(2-4-13-5-3-12)6-7(9)8(10)11/h6,8H,2-5H2,1H3/q+1/b7-6-
InChIKeyYIYNDJXTSBQZSL-SREVYHEPSA-N
XLogP1.54
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.19
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-4-[(Z)-2,3,3-trifluoroprop-1-enyl]morpholin-4-ium?
The IUPAC name of 4-methyl-4-[(Z)-2,3,3-trifluoroprop-1-enyl]morpholin-4-ium (CID 71572525) is 4-methyl-4-[(Z)-2,3,3-trifluoroprop-1-enyl]morpholin-4-ium.
What is the SMILES notation for 4-methyl-4-[(Z)-2,3,3-trifluoroprop-1-enyl]morpholin-4-ium?
The canonical SMILES for 4-methyl-4-[(Z)-2,3,3-trifluoroprop-1-enyl]morpholin-4-ium is C[N+]1(/C=C(\F)C(F)F)CCOCC1.
What is the InChIKey of 4-methyl-4-[(Z)-2,3,3-trifluoroprop-1-enyl]morpholin-4-ium?
The InChIKey is YIYNDJXTSBQZSL-SREVYHEPSA-N. The full InChI is InChI=1S/C8H13F3NO/c1-12(2-4-13-5-3-12)6-7(9)8(10)11/h6,8H,2-5H2,1H3/q+1/b7-6-.
What are the key properties of 4-methyl-4-[(Z)-2,3,3-trifluoroprop-1-enyl]morpholin-4-ium?
4-methyl-4-[(Z)-2,3,3-trifluoroprop-1-enyl]morpholin-4-ium has a molecular weight of 196.19 g/mol, XLogP of 1.54, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-4-[(Z)-2,3,3-trifluoroprop-1-enyl]morpholin-4-ium is sourced from PubChem (CID 71572525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).