4-[2-(1,1,1,2,2-pentafluoro-4-methylpentan-3-yl)oxyethyl]morpholine

C12H20F5NO2 — CID 59012964

IUPAC4-[2-(1,1,1,2,2-pentafluoro-4-methylpentan-3-yl)oxyethyl]morpholine
SMILESCC(C)C(OCCN1CCOCC1)C(F)(F)C(F)(F)F
InChIInChI=1S/C12H20F5NO2/c1-9(2)10(11(13,14)12(15,16)17)20-8-5-18-3-6-19-7-4-18/h9-10H,3-8H2,1-2H3
InChIKeyDVSDKSXQIJQYNW-UHFFFAOYSA-N
MW305.29 g/mol
LogP2.56
Rot. Bonds6

About 4-[2-(1,1,1,2,2-pentafluoro-4-methylpentan-3-yl)oxyethyl]morpholine

4-[2-(1,1,1,2,2-pentafluoro-4-methylpentan-3-yl)oxyethyl]morpholine (PubChem CID 59012964) has the molecular formula C12H20F5NO2 and a molecular weight of 305.29 g/mol. Its IUPAC name is 4-[2-(1,1,1,2,2-pentafluoro-4-methylpentan-3-yl)oxyethyl]morpholine.

Molecular Properties

Compound Name4-[2-(1,1,1,2,2-pentafluoro-4-methylpentan-3-yl)oxyethyl]morpholine
PubChem CID59012964
Molecular FormulaC12H20F5NO2
Molecular Weight305.29 g/mol
Exact Mass305.14
IUPAC Name4-[2-(1,1,1,2,2-pentafluoro-4-methylpentan-3-yl)oxyethyl]morpholine
SMILESCC(C)C(OCCN1CCOCC1)C(F)(F)C(F)(F)F
InChIInChI=1S/C12H20F5NO2/c1-9(2)10(11(13,14)12(15,16)17)20-8-5-18-3-6-19-7-4-18/h9-10H,3-8H2,1-2H3
InChIKeyDVSDKSXQIJQYNW-UHFFFAOYSA-N
XLogP2.56
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.29
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 4-[2-(1,1,1,2,2-pentafluoro-4-methylpentan-3-yl)oxyethyl]morpholine?
The IUPAC name of 4-[2-(1,1,1,2,2-pentafluoro-4-methylpentan-3-yl)oxyethyl]morpholine (CID 59012964) is 4-[2-(1,1,1,2,2-pentafluoro-4-methylpentan-3-yl)oxyethyl]morpholine.
What is the SMILES notation for 4-[2-(1,1,1,2,2-pentafluoro-4-methylpentan-3-yl)oxyethyl]morpholine?
The canonical SMILES for 4-[2-(1,1,1,2,2-pentafluoro-4-methylpentan-3-yl)oxyethyl]morpholine is CC(C)C(OCCN1CCOCC1)C(F)(F)C(F)(F)F.
What is the InChIKey of 4-[2-(1,1,1,2,2-pentafluoro-4-methylpentan-3-yl)oxyethyl]morpholine?
The InChIKey is DVSDKSXQIJQYNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20F5NO2/c1-9(2)10(11(13,14)12(15,16)17)20-8-5-18-3-6-19-7-4-18/h9-10H,3-8H2,1-2H3.
What are the key properties of 4-[2-(1,1,1,2,2-pentafluoro-4-methylpentan-3-yl)oxyethyl]morpholine?
4-[2-(1,1,1,2,2-pentafluoro-4-methylpentan-3-yl)oxyethyl]morpholine has a molecular weight of 305.29 g/mol, XLogP of 2.56, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(1,1,1,2,2-pentafluoro-4-methylpentan-3-yl)oxyethyl]morpholine is sourced from PubChem (CID 59012964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).