4-(1,1,1,3-tetrafluorobut-3-en-2-yl)morpholine

C8H11F4NO — CID 129207757

IUPAC4-(1,1,1,3-tetrafluorobut-3-en-2-yl)morpholine
SMILESC=C(F)C(N1CCOCC1)C(F)(F)F
InChIInChI=1S/C8H11F4NO/c1-6(9)7(8(10,11)12)13-2-4-14-5-3-13/h7H,1-5H2
InChIKeyONKDXKIEZTUSIS-UHFFFAOYSA-N
MW213.17 g/mol
LogP1.73
Rot. Bonds2

About 4-(1,1,1,3-tetrafluorobut-3-en-2-yl)morpholine

4-(1,1,1,3-tetrafluorobut-3-en-2-yl)morpholine (PubChem CID 129207757) has the molecular formula C8H11F4NO and a molecular weight of 213.17 g/mol. Its IUPAC name is 4-(1,1,1,3-tetrafluorobut-3-en-2-yl)morpholine.

Molecular Properties

Compound Name4-(1,1,1,3-tetrafluorobut-3-en-2-yl)morpholine
PubChem CID129207757
Molecular FormulaC8H11F4NO
Molecular Weight213.17 g/mol
Exact Mass213.08
IUPAC Name4-(1,1,1,3-tetrafluorobut-3-en-2-yl)morpholine
SMILESC=C(F)C(N1CCOCC1)C(F)(F)F
InChIInChI=1S/C8H11F4NO/c1-6(9)7(8(10,11)12)13-2-4-14-5-3-13/h7H,1-5H2
InChIKeyONKDXKIEZTUSIS-UHFFFAOYSA-N
XLogP1.73
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.17
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(1,1,1,3-tetrafluorobut-3-en-2-yl)morpholine?
The IUPAC name of 4-(1,1,1,3-tetrafluorobut-3-en-2-yl)morpholine (CID 129207757) is 4-(1,1,1,3-tetrafluorobut-3-en-2-yl)morpholine.
What is the SMILES notation for 4-(1,1,1,3-tetrafluorobut-3-en-2-yl)morpholine?
The canonical SMILES for 4-(1,1,1,3-tetrafluorobut-3-en-2-yl)morpholine is C=C(F)C(N1CCOCC1)C(F)(F)F.
What is the InChIKey of 4-(1,1,1,3-tetrafluorobut-3-en-2-yl)morpholine?
The InChIKey is ONKDXKIEZTUSIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F4NO/c1-6(9)7(8(10,11)12)13-2-4-14-5-3-13/h7H,1-5H2.
What are the key properties of 4-(1,1,1,3-tetrafluorobut-3-en-2-yl)morpholine?
4-(1,1,1,3-tetrafluorobut-3-en-2-yl)morpholine has a molecular weight of 213.17 g/mol, XLogP of 1.73, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,1,1,3-tetrafluorobut-3-en-2-yl)morpholine is sourced from PubChem (CID 129207757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).