1-(2-ethoxy-1,1,2,2-tetrafluoroethyl)-2,2,3,3,5,5,6,6-octafluoropiperidine

C9H7F12NO — CID 18731743

IUPAC1-(2-ethoxy-1,1,2,2-tetrafluoroethyl)-2,2,3,3,5,5,6,6-octafluoropiperidine
SMILESCCOC(F)(F)C(F)(F)N1C(F)(F)C(F)(F)CC(F)(F)C1(F)F
InChIInChI=1S/C9H7F12NO/c1-2-23-9(20,21)8(18,19)22-6(14,15)4(10,11)3-5(12,13)7(22,16)17/h2-3H2,1H3
InChIKeyRLOXKGAIXIHILB-UHFFFAOYSA-N
MW373.14 g/mol
LogP4.37
Rot. Bonds4

About 1-(2-ethoxy-1,1,2,2-tetrafluoroethyl)-2,2,3,3,5,5,6,6-octafluoropiperidine

1-(2-ethoxy-1,1,2,2-tetrafluoroethyl)-2,2,3,3,5,5,6,6-octafluoropiperidine (PubChem CID 18731743) has the molecular formula C9H7F12NO and a molecular weight of 373.14 g/mol. Its IUPAC name is 1-(2-ethoxy-1,1,2,2-tetrafluoroethyl)-2,2,3,3,5,5,6,6-octafluoropiperidine.

Molecular Properties

Compound Name1-(2-ethoxy-1,1,2,2-tetrafluoroethyl)-2,2,3,3,5,5,6,6-octafluoropiperidine
PubChem CID18731743
Molecular FormulaC9H7F12NO
Molecular Weight373.14 g/mol
Exact Mass373.03
IUPAC Name1-(2-ethoxy-1,1,2,2-tetrafluoroethyl)-2,2,3,3,5,5,6,6-octafluoropiperidine
SMILESCCOC(F)(F)C(F)(F)N1C(F)(F)C(F)(F)CC(F)(F)C1(F)F
InChIInChI=1S/C9H7F12NO/c1-2-23-9(20,21)8(18,19)22-6(14,15)4(10,11)3-5(12,13)7(22,16)17/h2-3H2,1H3
InChIKeyRLOXKGAIXIHILB-UHFFFAOYSA-N
XLogP4.37
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.14
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(1,1,2,2-Tetrafluoro-2-methoxyethyl)piperidine
CID 18725554
2,2,3,3,5,5,6,6-Octafluoro-4-pentylmorpholine
CID 19783531
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
3,3-Difluoro-1-(2-methoxyethyl)piperidine
CID 58335356
1-[2-(2,2,3,3,3-Pentafluoropropoxy)ethyl]piperidine
CID 59204094
4,4-Difluoro-1-(2-methoxyethyl)piperidine
CID 59549239
1-(3-Ethoxy-1,1,2,2-tetrafluoropropyl)-2,2,3,3,4,4,5,5,6,6-decafluoropiperidine
CID 130266390
2,2,3,3,5,5,6,6-Octafluoro-4-(1,1,2,2,3,3-hexafluorobutyl)morpholine
CID 132035600
1-Methyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-1-ium
CID 134276379
2,2,3,3,5,5,6,6-Octafluoro-4-(1,1,3,3,5,5-hexafluoro-5-iodopentyl)morpholine
CID 139806435
2,2,3,3,4,4,5,5,6,6-Decafluoro-1-(1,2,2-trifluoro-2-methoxyethyl)piperidine
CID 155217347

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxy-1,1,2,2-tetrafluoroethyl)-2,2,3,3,5,5,6,6-octafluoropiperidine?
The IUPAC name of 1-(2-ethoxy-1,1,2,2-tetrafluoroethyl)-2,2,3,3,5,5,6,6-octafluoropiperidine (CID 18731743) is 1-(2-ethoxy-1,1,2,2-tetrafluoroethyl)-2,2,3,3,5,5,6,6-octafluoropiperidine.
What is the SMILES notation for 1-(2-ethoxy-1,1,2,2-tetrafluoroethyl)-2,2,3,3,5,5,6,6-octafluoropiperidine?
The canonical SMILES for 1-(2-ethoxy-1,1,2,2-tetrafluoroethyl)-2,2,3,3,5,5,6,6-octafluoropiperidine is CCOC(F)(F)C(F)(F)N1C(F)(F)C(F)(F)CC(F)(F)C1(F)F.
What is the InChIKey of 1-(2-ethoxy-1,1,2,2-tetrafluoroethyl)-2,2,3,3,5,5,6,6-octafluoropiperidine?
The InChIKey is RLOXKGAIXIHILB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7F12NO/c1-2-23-9(20,21)8(18,19)22-6(14,15)4(10,11)3-5(12,13)7(22,16)17/h2-3H2,1H3.
What are the key properties of 1-(2-ethoxy-1,1,2,2-tetrafluoroethyl)-2,2,3,3,5,5,6,6-octafluoropiperidine?
1-(2-ethoxy-1,1,2,2-tetrafluoroethyl)-2,2,3,3,5,5,6,6-octafluoropiperidine has a molecular weight of 373.14 g/mol, XLogP of 4.37, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxy-1,1,2,2-tetrafluoroethyl)-2,2,3,3,5,5,6,6-octafluoropiperidine is sourced from PubChem (CID 18731743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).