2,2,3,3,5,5,6,6-octafluoro-4-hexylmorpholine

C10H13F8NO — CID 19783537

IUPAC2,2,3,3,5,5,6,6-octafluoro-4-hexylmorpholine
SMILESCCCCCCN1C(F)(F)C(F)(F)OC(F)(F)C1(F)F
InChIInChI=1S/C10H13F8NO/c1-2-3-4-5-6-19-7(11,12)9(15,16)20-10(17,18)8(19,13)14/h2-6H2,1H3
InChIKeyNNVXHDYILIMDRT-UHFFFAOYSA-N
MW315.20 g/mol
LogP4.27
Rot. Bonds5

About 2,2,3,3,5,5,6,6-octafluoro-4-hexylmorpholine

2,2,3,3,5,5,6,6-octafluoro-4-hexylmorpholine (PubChem CID 19783537) has the molecular formula C10H13F8NO and a molecular weight of 315.20 g/mol. Its IUPAC name is 2,2,3,3,5,5,6,6-octafluoro-4-hexylmorpholine.

Molecular Properties

Compound Name2,2,3,3,5,5,6,6-octafluoro-4-hexylmorpholine
PubChem CID19783537
Molecular FormulaC10H13F8NO
Molecular Weight315.20 g/mol
Exact Mass315.09
IUPAC Name2,2,3,3,5,5,6,6-octafluoro-4-hexylmorpholine
SMILESCCCCCCN1C(F)(F)C(F)(F)OC(F)(F)C1(F)F
InChIInChI=1S/C10H13F8NO/c1-2-3-4-5-6-19-7(11,12)9(15,16)20-10(17,18)8(19,13)14/h2-6H2,1H3
InChIKeyNNVXHDYILIMDRT-UHFFFAOYSA-N
XLogP4.27
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.20
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

Analyze 2,2,3,3,5,5,6,6-octafluoro-4-hexylmorpholine 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

4-(2,2,3,4,4,4-Hexafluorobutyl)morpholine
CID 17997711
1-(1,1,2,2-Tetrafluoro-2-methoxyethyl)piperidine
CID 18725554
2,2,3,3,5,5,6,6-Octafluoro-4-pentylmorpholine
CID 19783531
2,2,3,3,5,5,6,6-Octafluoro-4-heptylmorpholine
CID 19783539
4-Cyclohexyl-2,2,3,3,5,5,6,6-octafluoromorpholine
CID 19805677
4-(1,2,2,3,3,4,4,5,5,6,6-Undecafluorocyclohexyl)morpholine
CID 21692129
4-(1,1,2,2,3,3,4,4,5,5,6,6,6-Tridecafluorohexyl)morpholine
CID 21692130
4-(1,1,2,2,3,3,4,4,5,5,5-Undecafluoropentyl)morpholine
CID 21692136
4-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-Pentadecafluoroheptyl)morpholine
CID 54540906
3,3-Difluoro-1-(2-methoxyethyl)piperidine
CID 58335356
1-[2-(2,2,3,3,4,4,4-Heptafluorobutoxy)ethyl]piperidine
CID 59203986
1-[2-(2,2,2-Trifluoroethoxy)ethyl]piperidine
CID 59204082

Frequently Asked Questions

What is the IUPAC name of 2,2,3,3,5,5,6,6-octafluoro-4-hexylmorpholine?
The IUPAC name of 2,2,3,3,5,5,6,6-octafluoro-4-hexylmorpholine (CID 19783537) is 2,2,3,3,5,5,6,6-octafluoro-4-hexylmorpholine.
What is the SMILES notation for 2,2,3,3,5,5,6,6-octafluoro-4-hexylmorpholine?
The canonical SMILES for 2,2,3,3,5,5,6,6-octafluoro-4-hexylmorpholine is CCCCCCN1C(F)(F)C(F)(F)OC(F)(F)C1(F)F.
What is the InChIKey of 2,2,3,3,5,5,6,6-octafluoro-4-hexylmorpholine?
The InChIKey is NNVXHDYILIMDRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F8NO/c1-2-3-4-5-6-19-7(11,12)9(15,16)20-10(17,18)8(19,13)14/h2-6H2,1H3.
What are the key properties of 2,2,3,3,5,5,6,6-octafluoro-4-hexylmorpholine?
2,2,3,3,5,5,6,6-octafluoro-4-hexylmorpholine has a molecular weight of 315.20 g/mol, XLogP of 4.27, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3,5,5,6,6-octafluoro-4-hexylmorpholine is sourced from PubChem (CID 19783537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).