1-(3-ethoxy-1,1,2,2,3,3-hexafluoropropyl)piperidine

C10H15F6NO — CID 18725560

IUPAC1-(3-ethoxy-1,1,2,2,3,3-hexafluoropropyl)piperidine
SMILESCCOC(F)(F)C(F)(F)C(F)(F)N1CCCCC1
InChIInChI=1S/C10H15F6NO/c1-2-18-10(15,16)8(11,12)9(13,14)17-6-4-3-5-7-17/h2-7H2,1H3
InChIKeyRKTSEXPGHSGEKF-UHFFFAOYSA-N
MW279.22 g/mol
LogP3.33
Rot. Bonds5

About 1-(3-ethoxy-1,1,2,2,3,3-hexafluoropropyl)piperidine

1-(3-ethoxy-1,1,2,2,3,3-hexafluoropropyl)piperidine (PubChem CID 18725560) has the molecular formula C10H15F6NO and a molecular weight of 279.22 g/mol. Its IUPAC name is 1-(3-ethoxy-1,1,2,2,3,3-hexafluoropropyl)piperidine.

Molecular Properties

Compound Name1-(3-ethoxy-1,1,2,2,3,3-hexafluoropropyl)piperidine
PubChem CID18725560
Molecular FormulaC10H15F6NO
Molecular Weight279.22 g/mol
Exact Mass279.11
IUPAC Name1-(3-ethoxy-1,1,2,2,3,3-hexafluoropropyl)piperidine
SMILESCCOC(F)(F)C(F)(F)C(F)(F)N1CCCCC1
InChIInChI=1S/C10H15F6NO/c1-2-18-10(15,16)8(11,12)9(13,14)17-6-4-3-5-7-17/h2-7H2,1H3
InChIKeyRKTSEXPGHSGEKF-UHFFFAOYSA-N
XLogP3.33
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.22
LogP ≤ 53.33
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

Propoxypropylpiperidine
CID 89998359
1-[Ethoxy(difluoro)methyl]piperidine
CID 18721519
1-Methyl-4-(2,2,2-trifluoroethoxy)piperidine
CID 18722957
1-Methyl-4-(3,3,3-trifluoropropoxy)piperidine
CID 18722960
1-Methyl-4-(4,4,4-trifluorobutoxy)piperidine
CID 18722979
1-(1,1,2,2,3,3-Hexafluoro-3-methoxypropyl)piperidine
CID 18725553
1-(1,1,2,2-Tetrafluoro-2-methoxyethyl)piperidine
CID 18725554
1-(3-Ethoxy-1,1,2,2,3,3-hexafluoropropyl)-4-fluoropiperidine
CID 18725559
1-(3-Ethoxy-1,1,2,2,3,3-hexafluoropropyl)-4-methylpiperidine
CID 18731746
2,2,3,3,5,5,6,6-Octafluoro-4-pentylmorpholine
CID 19783531
1-[3-(Chloromethoxy)-1,1,2,2,3,3-hexafluoropropyl]piperidine
CID 20579832
4,4-Difluoro-1-(3-methoxypropyl)piperidine
CID 21035025

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethoxy-1,1,2,2,3,3-hexafluoropropyl)piperidine?
The IUPAC name of 1-(3-ethoxy-1,1,2,2,3,3-hexafluoropropyl)piperidine (CID 18725560) is 1-(3-ethoxy-1,1,2,2,3,3-hexafluoropropyl)piperidine.
What is the SMILES notation for 1-(3-ethoxy-1,1,2,2,3,3-hexafluoropropyl)piperidine?
The canonical SMILES for 1-(3-ethoxy-1,1,2,2,3,3-hexafluoropropyl)piperidine is CCOC(F)(F)C(F)(F)C(F)(F)N1CCCCC1.
What is the InChIKey of 1-(3-ethoxy-1,1,2,2,3,3-hexafluoropropyl)piperidine?
The InChIKey is RKTSEXPGHSGEKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F6NO/c1-2-18-10(15,16)8(11,12)9(13,14)17-6-4-3-5-7-17/h2-7H2,1H3.
What are the key properties of 1-(3-ethoxy-1,1,2,2,3,3-hexafluoropropyl)piperidine?
1-(3-ethoxy-1,1,2,2,3,3-hexafluoropropyl)piperidine has a molecular weight of 279.22 g/mol, XLogP of 3.33, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethoxy-1,1,2,2,3,3-hexafluoropropyl)piperidine is sourced from PubChem (CID 18725560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).