4-[(Z)-4,4,4-trifluoro-2-(fluoromethyl)but-2-enyl]morpholine

C9H13F4NO — CID 155323199

IUPAC4-[(Z)-4,4,4-trifluoro-2-(fluoromethyl)but-2-enyl]morpholine
SMILESFC/C(=C\C(F)(F)F)CN1CCOCC1
InChIInChI=1S/C9H13F4NO/c10-6-8(5-9(11,12)13)7-14-1-3-15-4-2-14/h5H,1-4,6-7H2/b8-5+
InChIKeyOCUREKOFWRTOOK-VMPITWQZSA-N
MW227.20 g/mol
LogP1.78
Rot. Bonds3

About 4-[(Z)-4,4,4-trifluoro-2-(fluoromethyl)but-2-enyl]morpholine

4-[(Z)-4,4,4-trifluoro-2-(fluoromethyl)but-2-enyl]morpholine (PubChem CID 155323199) has the molecular formula C9H13F4NO and a molecular weight of 227.20 g/mol. Its IUPAC name is 4-[(Z)-4,4,4-trifluoro-2-(fluoromethyl)but-2-enyl]morpholine.

Molecular Properties

Compound Name4-[(Z)-4,4,4-trifluoro-2-(fluoromethyl)but-2-enyl]morpholine
PubChem CID155323199
Molecular FormulaC9H13F4NO
Molecular Weight227.20 g/mol
Exact Mass227.09
IUPAC Name4-[(Z)-4,4,4-trifluoro-2-(fluoromethyl)but-2-enyl]morpholine
SMILESFC/C(=C\C(F)(F)F)CN1CCOCC1
InChIInChI=1S/C9H13F4NO/c10-6-8(5-9(11,12)13)7-14-1-3-15-4-2-14/h5H,1-4,6-7H2/b8-5+
InChIKeyOCUREKOFWRTOOK-VMPITWQZSA-N
XLogP1.78
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.20
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-[2-(pyrrolidin-1-ylmethyl)but-2-enyl]morpholine
CID 70026725
2-morpholin-4-ylacetamide;2,2,2-trifluoroacetic acid
CID 68772351
1,3-dimorpholin-4-ylpropan-2-one
CID 139559066
(E)-1-morpholin-4-ylpent-3-en-2-one
CID 146386174
4-[2-(imidazolidin-1-ylmethyl)but-2-enyl]morpholine
CID 70025514
trifluoro(3-morpholin-4-ylprop-1-en-2-yl)boranuide
CID 56655901
1-morpholin-4-ylpropan-2-one;hydrochloride
CID 67491798
S-(2-morpholin-4-ylacetyl)sulfanyl 2-morpholin-4-ylethanethioate
CID 57225107
4-(morpholin-4-ylmethyl)morpholine
CID 21839
4-(2,2,3,3-tetrafluoropropyl)morpholine
CID 12554036
3-[2-morpholin-4-ylethyl-(2,2,2-trifluoroacetyl)amino]propanoic acid
CID 82325840
2-[13-(carboxylatomethyl)-1,4,10-trioxa-7,13-diazacyclopentadec-7-yl]acetate;nickel(2+);dihydrate
CID 139142546

Frequently Asked Questions

What is the IUPAC name of 4-[(Z)-4,4,4-trifluoro-2-(fluoromethyl)but-2-enyl]morpholine?
The IUPAC name of 4-[(Z)-4,4,4-trifluoro-2-(fluoromethyl)but-2-enyl]morpholine (CID 155323199) is 4-[(Z)-4,4,4-trifluoro-2-(fluoromethyl)but-2-enyl]morpholine.
What is the SMILES notation for 4-[(Z)-4,4,4-trifluoro-2-(fluoromethyl)but-2-enyl]morpholine?
The canonical SMILES for 4-[(Z)-4,4,4-trifluoro-2-(fluoromethyl)but-2-enyl]morpholine is FC/C(=C\C(F)(F)F)CN1CCOCC1.
What is the InChIKey of 4-[(Z)-4,4,4-trifluoro-2-(fluoromethyl)but-2-enyl]morpholine?
The InChIKey is OCUREKOFWRTOOK-VMPITWQZSA-N. The full InChI is InChI=1S/C9H13F4NO/c10-6-8(5-9(11,12)13)7-14-1-3-15-4-2-14/h5H,1-4,6-7H2/b8-5+.
What are the key properties of 4-[(Z)-4,4,4-trifluoro-2-(fluoromethyl)but-2-enyl]morpholine?
4-[(Z)-4,4,4-trifluoro-2-(fluoromethyl)but-2-enyl]morpholine has a molecular weight of 227.20 g/mol, XLogP of 1.78, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(Z)-4,4,4-trifluoro-2-(fluoromethyl)but-2-enyl]morpholine is sourced from PubChem (CID 155323199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).