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

C8H10F5NO — CID 129207496

IUPAC4-(1,1,1,2,3-pentafluorobut-3-en-2-yl)morpholine
SMILESC=C(F)C(F)(N1CCOCC1)C(F)(F)F
InChIInChI=1S/C8H10F5NO/c1-6(9)7(10,8(11,12)13)14-2-4-15-5-3-14/h1-5H2
InChIKeyHTYDHTBCTBDTJN-UHFFFAOYSA-N
MW231.16 g/mol
LogP2.03
Rot. Bonds2

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

4-(1,1,1,2,3-pentafluorobut-3-en-2-yl)morpholine (PubChem CID 129207496) has the molecular formula C8H10F5NO and a molecular weight of 231.16 g/mol. Its IUPAC name is 4-(1,1,1,2,3-pentafluorobut-3-en-2-yl)morpholine.

Molecular Properties

Compound Name4-(1,1,1,2,3-pentafluorobut-3-en-2-yl)morpholine
PubChem CID129207496
Molecular FormulaC8H10F5NO
Molecular Weight231.16 g/mol
Exact Mass231.07
IUPAC Name4-(1,1,1,2,3-pentafluorobut-3-en-2-yl)morpholine
SMILESC=C(F)C(F)(N1CCOCC1)C(F)(F)F
InChIInChI=1S/C8H10F5NO/c1-6(9)7(10,8(11,12)13)14-2-4-15-5-3-14/h1-5H2
InChIKeyHTYDHTBCTBDTJN-UHFFFAOYSA-N
XLogP2.03
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.16
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(1,1,1,2,3-pentafluorobut-3-en-2-yl)morpholine?
The IUPAC name of 4-(1,1,1,2,3-pentafluorobut-3-en-2-yl)morpholine (CID 129207496) is 4-(1,1,1,2,3-pentafluorobut-3-en-2-yl)morpholine.
What is the SMILES notation for 4-(1,1,1,2,3-pentafluorobut-3-en-2-yl)morpholine?
The canonical SMILES for 4-(1,1,1,2,3-pentafluorobut-3-en-2-yl)morpholine is C=C(F)C(F)(N1CCOCC1)C(F)(F)F.
What is the InChIKey of 4-(1,1,1,2,3-pentafluorobut-3-en-2-yl)morpholine?
The InChIKey is HTYDHTBCTBDTJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F5NO/c1-6(9)7(10,8(11,12)13)14-2-4-15-5-3-14/h1-5H2.
What are the key properties of 4-(1,1,1,2,3-pentafluorobut-3-en-2-yl)morpholine?
4-(1,1,1,2,3-pentafluorobut-3-en-2-yl)morpholine has a molecular weight of 231.16 g/mol, XLogP of 2.03, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,1,1,2,3-pentafluorobut-3-en-2-yl)morpholine is sourced from PubChem (CID 129207496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).