2,2,3,3,4,4,5,5-octafluoro-1,6-dimorpholin-4-ylhexane-1,6-dione

C14H16F8N2O4 — CID 2063397

IUPAC2,2,3,3,4,4,5,5-octafluoro-1,6-dimorpholin-4-ylhexane-1,6-dione
SMILESO=C(N1CCOCC1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(=O)N1CCOCC1
InChIInChI=1S/C14H16F8N2O4/c15-11(16,9(25)23-1-5-27-6-2-23)13(19,20)14(21,22)12(17,18)10(26)24-3-7-28-8-4-24/h1-8H2
InChIKeySOTIGCIQYGKFFP-UHFFFAOYSA-N
MW428.28 g/mol
LogP1.25
Rot. Bonds5

About 2,2,3,3,4,4,5,5-octafluoro-1,6-dimorpholin-4-ylhexane-1,6-dione

2,2,3,3,4,4,5,5-octafluoro-1,6-dimorpholin-4-ylhexane-1,6-dione (PubChem CID 2063397) has the molecular formula C14H16F8N2O4 and a molecular weight of 428.28 g/mol. Its IUPAC name is 2,2,3,3,4,4,5,5-octafluoro-1,6-dimorpholin-4-ylhexane-1,6-dione.

Molecular Properties

Compound Name2,2,3,3,4,4,5,5-octafluoro-1,6-dimorpholin-4-ylhexane-1,6-dione
PubChem CID2063397
Molecular FormulaC14H16F8N2O4
Molecular Weight428.28 g/mol
Exact Mass428.10
IUPAC Name2,2,3,3,4,4,5,5-octafluoro-1,6-dimorpholin-4-ylhexane-1,6-dione
SMILESO=C(N1CCOCC1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(=O)N1CCOCC1
InChIInChI=1S/C14H16F8N2O4/c15-11(16,9(25)23-1-5-27-6-2-23)13(19,20)14(21,22)12(17,18)10(26)24-3-7-28-8-4-24/h1-8H2
InChIKeySOTIGCIQYGKFFP-UHFFFAOYSA-N
XLogP1.25
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.28
LogP ≤ 51.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2,2,3,3,4,4,5,5-octafluoro-1,6-dimorpholin-4-ylhexane-1,6-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,2,3,3,4,4,5,5,6,6,7,7,7-Tridecafluoro-1-(morpholin-4-yl)heptan-1-one
CID 4668344
1,6-Di(morpholin-4-yl)hexane-1,6-dione
CID 223658
4-{3-[1-(4,4,4-Trifluorobutyl)-4-piperidinyl]propanoyl}morpholine
CID 26315521
2,2,3,3,4,4,5,5,7,7,7-undecafluoro-N-methyl-N-(2-morpholin-4-ylethyl)heptanamide
CID 58855372
2,2,3,3,4,4,5,5,6,6,6-undecafluoro-N-methyl-N-(2-morpholin-4-ylethyl)hexanamide
CID 58855382
4,4,5,5,6,6-hexafluoro-N-methyl-N-(2-morpholin-4-ylethyl)hexanamide
CID 58855398
2,2,3,3,4,4,5,5,7,7-decafluoro-N-methyl-N-(2-morpholin-4-ylethyl)heptanamide
CID 58855408
2,2,3,3,4,4,5,5-octafluoro-N-methyl-N-(2-morpholin-4-ylethyl)pentanamide
CID 58855467
2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoro-N-methyl-N-(2-morpholin-4-ylethyl)heptanamide
CID 87731675
2,2,4,4,5,5-hexafluoro-N-methyl-N-(2-morpholin-4-ylethyl)pentanamide
CID 89623716
2,2,4,4,5,5,5-heptafluoro-N-methyl-N-(2-morpholin-4-ylethyl)pentanamide
CID 89623852
2,2,4,4,5,5,7,7,7-nonafluoro-N-methyl-N-(2-morpholin-4-ylethyl)heptanamide
CID 89623854

Frequently Asked Questions

What is the IUPAC name of 2,2,3,3,4,4,5,5-octafluoro-1,6-dimorpholin-4-ylhexane-1,6-dione?
The IUPAC name of 2,2,3,3,4,4,5,5-octafluoro-1,6-dimorpholin-4-ylhexane-1,6-dione (CID 2063397) is 2,2,3,3,4,4,5,5-octafluoro-1,6-dimorpholin-4-ylhexane-1,6-dione.
What is the SMILES notation for 2,2,3,3,4,4,5,5-octafluoro-1,6-dimorpholin-4-ylhexane-1,6-dione?
The canonical SMILES for 2,2,3,3,4,4,5,5-octafluoro-1,6-dimorpholin-4-ylhexane-1,6-dione is O=C(N1CCOCC1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(=O)N1CCOCC1.
What is the InChIKey of 2,2,3,3,4,4,5,5-octafluoro-1,6-dimorpholin-4-ylhexane-1,6-dione?
The InChIKey is SOTIGCIQYGKFFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F8N2O4/c15-11(16,9(25)23-1-5-27-6-2-23)13(19,20)14(21,22)12(17,18)10(26)24-3-7-28-8-4-24/h1-8H2.
What are the key properties of 2,2,3,3,4,4,5,5-octafluoro-1,6-dimorpholin-4-ylhexane-1,6-dione?
2,2,3,3,4,4,5,5-octafluoro-1,6-dimorpholin-4-ylhexane-1,6-dione has a molecular weight of 428.28 g/mol, XLogP of 1.25, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3,4,4,5,5-octafluoro-1,6-dimorpholin-4-ylhexane-1,6-dione is sourced from PubChem (CID 2063397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).