4-(1,1,3,3,3-pentafluoro-2-methylpropyl)morpholine

C8H12F5NO — CID 23566299

IUPAC4-(1,1,3,3,3-pentafluoro-2-methylpropyl)morpholine
SMILESCC(C(F)(F)F)C(F)(F)N1CCOCC1
InChIInChI=1S/C8H12F5NO/c1-6(7(9,10)11)8(12,13)14-2-4-15-5-3-14/h6H,2-5H2,1H3
InChIKeyMSLMFDOJHHKXJL-UHFFFAOYSA-N
MW233.18 g/mol
LogP2.11
Rot. Bonds2

About 4-(1,1,3,3,3-pentafluoro-2-methylpropyl)morpholine

4-(1,1,3,3,3-pentafluoro-2-methylpropyl)morpholine (PubChem CID 23566299) has the molecular formula C8H12F5NO and a molecular weight of 233.18 g/mol. Its IUPAC name is 4-(1,1,3,3,3-pentafluoro-2-methylpropyl)morpholine.

Molecular Properties

Compound Name4-(1,1,3,3,3-pentafluoro-2-methylpropyl)morpholine
PubChem CID23566299
Molecular FormulaC8H12F5NO
Molecular Weight233.18 g/mol
Exact Mass233.08
IUPAC Name4-(1,1,3,3,3-pentafluoro-2-methylpropyl)morpholine
SMILESCC(C(F)(F)F)C(F)(F)N1CCOCC1
InChIInChI=1S/C8H12F5NO/c1-6(7(9,10)11)8(12,13)14-2-4-15-5-3-14/h6H,2-5H2,1H3
InChIKeyMSLMFDOJHHKXJL-UHFFFAOYSA-N
XLogP2.11
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.18
LogP ≤ 52.11
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-(1,1,3,3,3-pentafluoro-2-methylpropyl)morpholine?
The IUPAC name of 4-(1,1,3,3,3-pentafluoro-2-methylpropyl)morpholine (CID 23566299) is 4-(1,1,3,3,3-pentafluoro-2-methylpropyl)morpholine.
What is the SMILES notation for 4-(1,1,3,3,3-pentafluoro-2-methylpropyl)morpholine?
The canonical SMILES for 4-(1,1,3,3,3-pentafluoro-2-methylpropyl)morpholine is CC(C(F)(F)F)C(F)(F)N1CCOCC1.
What is the InChIKey of 4-(1,1,3,3,3-pentafluoro-2-methylpropyl)morpholine?
The InChIKey is MSLMFDOJHHKXJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F5NO/c1-6(7(9,10)11)8(12,13)14-2-4-15-5-3-14/h6H,2-5H2,1H3.
What are the key properties of 4-(1,1,3,3,3-pentafluoro-2-methylpropyl)morpholine?
4-(1,1,3,3,3-pentafluoro-2-methylpropyl)morpholine has a molecular weight of 233.18 g/mol, XLogP of 2.11, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,1,3,3,3-pentafluoro-2-methylpropyl)morpholine is sourced from PubChem (CID 23566299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).