4-(1,1,2,2,2-pentafluoroethyl)morpholine

C6H8F5NO — CID 52991953

IUPAC4-(1,1,2,2,2-pentafluoroethyl)morpholine
SMILESFC(F)(F)C(F)(F)N1CCOCC1
InChIInChI=1S/C6H8F5NO/c7-5(8,9)6(10,11)12-1-3-13-4-2-12/h1-4H2
InChIKeyOSIUKLFLHLBCRW-UHFFFAOYSA-N
MW205.13 g/mol
LogP1.47
Rot. Bonds1

About 4-(1,1,2,2,2-pentafluoroethyl)morpholine

4-(1,1,2,2,2-pentafluoroethyl)morpholine (PubChem CID 52991953) has the molecular formula C6H8F5NO and a molecular weight of 205.13 g/mol. Its IUPAC name is 4-(1,1,2,2,2-pentafluoroethyl)morpholine.

Molecular Properties

Compound Name4-(1,1,2,2,2-pentafluoroethyl)morpholine
PubChem CID52991953
Molecular FormulaC6H8F5NO
Molecular Weight205.13 g/mol
Exact Mass205.05
IUPAC Name4-(1,1,2,2,2-pentafluoroethyl)morpholine
SMILESFC(F)(F)C(F)(F)N1CCOCC1
InChIInChI=1S/C6H8F5NO/c7-5(8,9)6(10,11)12-1-3-13-4-2-12/h1-4H2
InChIKeyOSIUKLFLHLBCRW-UHFFFAOYSA-N
XLogP1.47
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.13
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(1,1,2,2,2-pentafluoroethyl)morpholine?
The IUPAC name of 4-(1,1,2,2,2-pentafluoroethyl)morpholine (CID 52991953) is 4-(1,1,2,2,2-pentafluoroethyl)morpholine.
What is the SMILES notation for 4-(1,1,2,2,2-pentafluoroethyl)morpholine?
The canonical SMILES for 4-(1,1,2,2,2-pentafluoroethyl)morpholine is FC(F)(F)C(F)(F)N1CCOCC1.
What is the InChIKey of 4-(1,1,2,2,2-pentafluoroethyl)morpholine?
The InChIKey is OSIUKLFLHLBCRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F5NO/c7-5(8,9)6(10,11)12-1-3-13-4-2-12/h1-4H2.
What are the key properties of 4-(1,1,2,2,2-pentafluoroethyl)morpholine?
4-(1,1,2,2,2-pentafluoroethyl)morpholine has a molecular weight of 205.13 g/mol, XLogP of 1.47, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,1,2,2,2-pentafluoroethyl)morpholine is sourced from PubChem (CID 52991953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).