4-[(E)-1,1,1-trifluorobut-2-en-2-yl]morpholine

C8H12F3NO — CID 134530509

IUPAC4-[(E)-1,1,1-trifluorobut-2-en-2-yl]morpholine
SMILESC/C=C(/N1CCOCC1)C(F)(F)F
InChIInChI=1S/C8H12F3NO/c1-2-7(8(9,10)11)12-3-5-13-6-4-12/h2H,3-6H2,1H3/b7-2+
InChIKeyWXIFPJZZQLPNMK-FARCUNLSSA-N
MW195.18 g/mol
LogP1.78
Rot. Bonds1

About 4-[(E)-1,1,1-trifluorobut-2-en-2-yl]morpholine

4-[(E)-1,1,1-trifluorobut-2-en-2-yl]morpholine (PubChem CID 134530509) has the molecular formula C8H12F3NO and a molecular weight of 195.18 g/mol. Its IUPAC name is 4-[(E)-1,1,1-trifluorobut-2-en-2-yl]morpholine.

Molecular Properties

Compound Name4-[(E)-1,1,1-trifluorobut-2-en-2-yl]morpholine
PubChem CID134530509
Molecular FormulaC8H12F3NO
Molecular Weight195.18 g/mol
Exact Mass195.09
IUPAC Name4-[(E)-1,1,1-trifluorobut-2-en-2-yl]morpholine
SMILESC/C=C(/N1CCOCC1)C(F)(F)F
InChIInChI=1S/C8H12F3NO/c1-2-7(8(9,10)11)12-3-5-13-6-4-12/h2H,3-6H2,1H3/b7-2+
InChIKeyWXIFPJZZQLPNMK-FARCUNLSSA-N
XLogP1.78
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.18
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[(E)-1,1,1-trifluorobut-2-en-2-yl]morpholine?
The IUPAC name of 4-[(E)-1,1,1-trifluorobut-2-en-2-yl]morpholine (CID 134530509) is 4-[(E)-1,1,1-trifluorobut-2-en-2-yl]morpholine.
What is the SMILES notation for 4-[(E)-1,1,1-trifluorobut-2-en-2-yl]morpholine?
The canonical SMILES for 4-[(E)-1,1,1-trifluorobut-2-en-2-yl]morpholine is C/C=C(/N1CCOCC1)C(F)(F)F.
What is the InChIKey of 4-[(E)-1,1,1-trifluorobut-2-en-2-yl]morpholine?
The InChIKey is WXIFPJZZQLPNMK-FARCUNLSSA-N. The full InChI is InChI=1S/C8H12F3NO/c1-2-7(8(9,10)11)12-3-5-13-6-4-12/h2H,3-6H2,1H3/b7-2+.
What are the key properties of 4-[(E)-1,1,1-trifluorobut-2-en-2-yl]morpholine?
4-[(E)-1,1,1-trifluorobut-2-en-2-yl]morpholine has a molecular weight of 195.18 g/mol, XLogP of 1.78, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-1,1,1-trifluorobut-2-en-2-yl]morpholine is sourced from PubChem (CID 134530509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).