4-cyclohexyl-2,2,3,3,5,5,6,6-octafluoromorpholine

C10H11F8NO — CID 19805677

IUPAC4-cyclohexyl-2,2,3,3,5,5,6,6-octafluoromorpholine
SMILESFC1(F)OC(F)(F)C(F)(F)N(C2CCCCC2)C1(F)F
InChIInChI=1S/C10H11F8NO/c11-7(12)9(15,16)20-10(17,18)8(13,14)19(7)6-4-2-1-3-5-6/h6H,1-5H2
InChIKeyPXPWPVXYBXLTRP-UHFFFAOYSA-N
MW313.19 g/mol
LogP4.02
Rot. Bonds1

About 4-cyclohexyl-2,2,3,3,5,5,6,6-octafluoromorpholine

4-cyclohexyl-2,2,3,3,5,5,6,6-octafluoromorpholine (PubChem CID 19805677) has the molecular formula C10H11F8NO and a molecular weight of 313.19 g/mol. Its IUPAC name is 4-cyclohexyl-2,2,3,3,5,5,6,6-octafluoromorpholine.

Molecular Properties

Compound Name4-cyclohexyl-2,2,3,3,5,5,6,6-octafluoromorpholine
PubChem CID19805677
Molecular FormulaC10H11F8NO
Molecular Weight313.19 g/mol
Exact Mass313.07
IUPAC Name4-cyclohexyl-2,2,3,3,5,5,6,6-octafluoromorpholine
SMILESFC1(F)OC(F)(F)C(F)(F)N(C2CCCCC2)C1(F)F
InChIInChI=1S/C10H11F8NO/c11-7(12)9(15,16)20-10(17,18)8(13,14)19(7)6-4-2-1-3-5-6/h6H,1-5H2
InChIKeyPXPWPVXYBXLTRP-UHFFFAOYSA-N
XLogP4.02
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.19
LogP ≤ 54.02
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-cyclohexyl-2,2,3,3,5,5,6,6-octafluoromorpholine?
The IUPAC name of 4-cyclohexyl-2,2,3,3,5,5,6,6-octafluoromorpholine (CID 19805677) is 4-cyclohexyl-2,2,3,3,5,5,6,6-octafluoromorpholine.
What is the SMILES notation for 4-cyclohexyl-2,2,3,3,5,5,6,6-octafluoromorpholine?
The canonical SMILES for 4-cyclohexyl-2,2,3,3,5,5,6,6-octafluoromorpholine is FC1(F)OC(F)(F)C(F)(F)N(C2CCCCC2)C1(F)F.
What is the InChIKey of 4-cyclohexyl-2,2,3,3,5,5,6,6-octafluoromorpholine?
The InChIKey is PXPWPVXYBXLTRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F8NO/c11-7(12)9(15,16)20-10(17,18)8(13,14)19(7)6-4-2-1-3-5-6/h6H,1-5H2.
What are the key properties of 4-cyclohexyl-2,2,3,3,5,5,6,6-octafluoromorpholine?
4-cyclohexyl-2,2,3,3,5,5,6,6-octafluoromorpholine has a molecular weight of 313.19 g/mol, XLogP of 4.02, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexyl-2,2,3,3,5,5,6,6-octafluoromorpholine is sourced from PubChem (CID 19805677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).