2-(1,2,2,3,3,4,4,5,5-nonafluorocyclopentyl)morpholine

C9H8F9NO — CID 19805676

IUPAC2-(1,2,2,3,3,4,4,5,5-nonafluorocyclopentyl)morpholine
SMILESFC1(F)C(F)(F)C(F)(F)C(F)(C2CNCCO2)C1(F)F
InChIInChI=1S/C9H8F9NO/c10-5(4-3-19-1-2-20-4)6(11,12)8(15,16)9(17,18)7(5,13)14/h4,19H,1-3H2
InChIKeyJSBRIDWIFSFIDT-UHFFFAOYSA-N
MW317.15 g/mol
LogP2.24
Rot. Bonds1

About 2-(1,2,2,3,3,4,4,5,5-nonafluorocyclopentyl)morpholine

2-(1,2,2,3,3,4,4,5,5-nonafluorocyclopentyl)morpholine (PubChem CID 19805676) has the molecular formula C9H8F9NO and a molecular weight of 317.15 g/mol. Its IUPAC name is 2-(1,2,2,3,3,4,4,5,5-nonafluorocyclopentyl)morpholine.

Molecular Properties

Compound Name2-(1,2,2,3,3,4,4,5,5-nonafluorocyclopentyl)morpholine
PubChem CID19805676
Molecular FormulaC9H8F9NO
Molecular Weight317.15 g/mol
Exact Mass317.05
IUPAC Name2-(1,2,2,3,3,4,4,5,5-nonafluorocyclopentyl)morpholine
SMILESFC1(F)C(F)(F)C(F)(F)C(F)(C2CNCCO2)C1(F)F
InChIInChI=1S/C9H8F9NO/c10-5(4-3-19-1-2-20-4)6(11,12)8(15,16)9(17,18)7(5,13)14/h4,19H,1-3H2
InChIKeyJSBRIDWIFSFIDT-UHFFFAOYSA-N
XLogP2.24
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.15
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(1,2,2,3,3,4,4,5,5-nonafluorocyclopentyl)morpholine?
The IUPAC name of 2-(1,2,2,3,3,4,4,5,5-nonafluorocyclopentyl)morpholine (CID 19805676) is 2-(1,2,2,3,3,4,4,5,5-nonafluorocyclopentyl)morpholine.
What is the SMILES notation for 2-(1,2,2,3,3,4,4,5,5-nonafluorocyclopentyl)morpholine?
The canonical SMILES for 2-(1,2,2,3,3,4,4,5,5-nonafluorocyclopentyl)morpholine is FC1(F)C(F)(F)C(F)(F)C(F)(C2CNCCO2)C1(F)F.
What is the InChIKey of 2-(1,2,2,3,3,4,4,5,5-nonafluorocyclopentyl)morpholine?
The InChIKey is JSBRIDWIFSFIDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F9NO/c10-5(4-3-19-1-2-20-4)6(11,12)8(15,16)9(17,18)7(5,13)14/h4,19H,1-3H2.
What are the key properties of 2-(1,2,2,3,3,4,4,5,5-nonafluorocyclopentyl)morpholine?
2-(1,2,2,3,3,4,4,5,5-nonafluorocyclopentyl)morpholine has a molecular weight of 317.15 g/mol, XLogP of 2.24, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2,2,3,3,4,4,5,5-nonafluorocyclopentyl)morpholine is sourced from PubChem (CID 19805676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).