4-[2-(4,4,5,5,6,6,7,7-octafluoro-2-methylheptan-3-yl)oxyethyl]morpholine

C14H21F8NO2 — CID 59013013

IUPAC4-[2-(4,4,5,5,6,6,7,7-octafluoro-2-methylheptan-3-yl)oxyethyl]morpholine
SMILESCC(C)C(OCCN1CCOCC1)C(F)(F)C(F)(F)C(F)(F)C(F)F
InChIInChI=1S/C14H21F8NO2/c1-9(2)10(25-8-5-23-3-6-24-7-4-23)12(17,18)14(21,22)13(19,20)11(15)16/h9-11H,3-8H2,1-2H3
InChIKeyQJSBOSIOTAYJHZ-UHFFFAOYSA-N
MW387.31 g/mol
LogP3.53
Rot. Bonds9

About 4-[2-(4,4,5,5,6,6,7,7-octafluoro-2-methylheptan-3-yl)oxyethyl]morpholine

4-[2-(4,4,5,5,6,6,7,7-octafluoro-2-methylheptan-3-yl)oxyethyl]morpholine (PubChem CID 59013013) has the molecular formula C14H21F8NO2 and a molecular weight of 387.31 g/mol. Its IUPAC name is 4-[2-(4,4,5,5,6,6,7,7-octafluoro-2-methylheptan-3-yl)oxyethyl]morpholine.

Molecular Properties

Compound Name4-[2-(4,4,5,5,6,6,7,7-octafluoro-2-methylheptan-3-yl)oxyethyl]morpholine
PubChem CID59013013
Molecular FormulaC14H21F8NO2
Molecular Weight387.31 g/mol
Exact Mass387.14
IUPAC Name4-[2-(4,4,5,5,6,6,7,7-octafluoro-2-methylheptan-3-yl)oxyethyl]morpholine
SMILESCC(C)C(OCCN1CCOCC1)C(F)(F)C(F)(F)C(F)(F)C(F)F
InChIInChI=1S/C14H21F8NO2/c1-9(2)10(25-8-5-23-3-6-24-7-4-23)12(17,18)14(21,22)13(19,20)11(15)16/h9-11H,3-8H2,1-2H3
InChIKeyQJSBOSIOTAYJHZ-UHFFFAOYSA-N
XLogP3.53
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.31
LogP ≤ 53.53
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-(4,4,5,5,6,6,7,7-octafluoro-2-methylheptan-3-yl)oxyethyl]morpholine?
The IUPAC name of 4-[2-(4,4,5,5,6,6,7,7-octafluoro-2-methylheptan-3-yl)oxyethyl]morpholine (CID 59013013) is 4-[2-(4,4,5,5,6,6,7,7-octafluoro-2-methylheptan-3-yl)oxyethyl]morpholine.
What is the SMILES notation for 4-[2-(4,4,5,5,6,6,7,7-octafluoro-2-methylheptan-3-yl)oxyethyl]morpholine?
The canonical SMILES for 4-[2-(4,4,5,5,6,6,7,7-octafluoro-2-methylheptan-3-yl)oxyethyl]morpholine is CC(C)C(OCCN1CCOCC1)C(F)(F)C(F)(F)C(F)(F)C(F)F.
What is the InChIKey of 4-[2-(4,4,5,5,6,6,7,7-octafluoro-2-methylheptan-3-yl)oxyethyl]morpholine?
The InChIKey is QJSBOSIOTAYJHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F8NO2/c1-9(2)10(25-8-5-23-3-6-24-7-4-23)12(17,18)14(21,22)13(19,20)11(15)16/h9-11H,3-8H2,1-2H3.
What are the key properties of 4-[2-(4,4,5,5,6,6,7,7-octafluoro-2-methylheptan-3-yl)oxyethyl]morpholine?
4-[2-(4,4,5,5,6,6,7,7-octafluoro-2-methylheptan-3-yl)oxyethyl]morpholine has a molecular weight of 387.31 g/mol, XLogP of 3.53, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4,4,5,5,6,6,7,7-octafluoro-2-methylheptan-3-yl)oxyethyl]morpholine is sourced from PubChem (CID 59013013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).