4-(1,2,3,3,3-pentafluoropropyl)-2,6-bis(trifluoromethyl)morpholine

C9H8F11NO — CID 162606326

IUPAC4-(1,2,3,3,3-pentafluoropropyl)-2,6-bis(trifluoromethyl)morpholine
SMILESFC(C(F)C(F)(F)F)N1CC(C(F)(F)F)OC(C(F)(F)F)C1
InChIInChI=1S/C9H8F11NO/c10-5(9(18,19)20)6(11)21-1-3(7(12,13)14)22-4(2-21)8(15,16)17/h3-6H,1-2H2
InChIKeySFMCEEJUIPTZPS-UHFFFAOYSA-N
MW355.15 g/mol
LogP3.38
Rot. Bonds2

About 4-(1,2,3,3,3-pentafluoropropyl)-2,6-bis(trifluoromethyl)morpholine

4-(1,2,3,3,3-pentafluoropropyl)-2,6-bis(trifluoromethyl)morpholine (PubChem CID 162606326) has the molecular formula C9H8F11NO and a molecular weight of 355.15 g/mol. Its IUPAC name is 4-(1,2,3,3,3-pentafluoropropyl)-2,6-bis(trifluoromethyl)morpholine.

Molecular Properties

Compound Name4-(1,2,3,3,3-pentafluoropropyl)-2,6-bis(trifluoromethyl)morpholine
PubChem CID162606326
Molecular FormulaC9H8F11NO
Molecular Weight355.15 g/mol
Exact Mass355.04
IUPAC Name4-(1,2,3,3,3-pentafluoropropyl)-2,6-bis(trifluoromethyl)morpholine
SMILESFC(C(F)C(F)(F)F)N1CC(C(F)(F)F)OC(C(F)(F)F)C1
InChIInChI=1S/C9H8F11NO/c10-5(9(18,19)20)6(11)21-1-3(7(12,13)14)22-4(2-21)8(15,16)17/h3-6H,1-2H2
InChIKeySFMCEEJUIPTZPS-UHFFFAOYSA-N
XLogP3.38
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.15
LogP ≤ 53.38
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-(1,2,3,3,3-pentafluoropropyl)-2,6-bis(trifluoromethyl)morpholine?
The IUPAC name of 4-(1,2,3,3,3-pentafluoropropyl)-2,6-bis(trifluoromethyl)morpholine (CID 162606326) is 4-(1,2,3,3,3-pentafluoropropyl)-2,6-bis(trifluoromethyl)morpholine.
What is the SMILES notation for 4-(1,2,3,3,3-pentafluoropropyl)-2,6-bis(trifluoromethyl)morpholine?
The canonical SMILES for 4-(1,2,3,3,3-pentafluoropropyl)-2,6-bis(trifluoromethyl)morpholine is FC(C(F)C(F)(F)F)N1CC(C(F)(F)F)OC(C(F)(F)F)C1.
What is the InChIKey of 4-(1,2,3,3,3-pentafluoropropyl)-2,6-bis(trifluoromethyl)morpholine?
The InChIKey is SFMCEEJUIPTZPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F11NO/c10-5(9(18,19)20)6(11)21-1-3(7(12,13)14)22-4(2-21)8(15,16)17/h3-6H,1-2H2.
What are the key properties of 4-(1,2,3,3,3-pentafluoropropyl)-2,6-bis(trifluoromethyl)morpholine?
4-(1,2,3,3,3-pentafluoropropyl)-2,6-bis(trifluoromethyl)morpholine has a molecular weight of 355.15 g/mol, XLogP of 3.38, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,2,3,3,3-pentafluoropropyl)-2,6-bis(trifluoromethyl)morpholine is sourced from PubChem (CID 162606326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).