1-[1,2,2-trifluoro-3-(3,3,4,5,5,5-hexafluoropentan-2-yloxy)butyl]piperidine

C14H20F9NO — CID 130418390

IUPAC1-[1,2,2-trifluoro-3-(3,3,4,5,5,5-hexafluoropentan-2-yloxy)butyl]piperidine
SMILESCC(OC(C)C(F)(F)C(F)C(F)(F)F)C(F)(F)C(F)N1CCCCC1
InChIInChI=1S/C14H20F9NO/c1-8(12(17,18)10(15)14(21,22)23)25-9(2)13(19,20)11(16)24-6-4-3-5-7-24/h8-11H,3-7H2,1-2H3
InChIKeySHMSNJIECJHRMX-UHFFFAOYSA-N
MW389.30 g/mol
LogP4.73
Rot. Bonds7

About 1-[1,2,2-trifluoro-3-(3,3,4,5,5,5-hexafluoropentan-2-yloxy)butyl]piperidine

1-[1,2,2-trifluoro-3-(3,3,4,5,5,5-hexafluoropentan-2-yloxy)butyl]piperidine (PubChem CID 130418390) has the molecular formula C14H20F9NO and a molecular weight of 389.30 g/mol. Its IUPAC name is 1-[1,2,2-trifluoro-3-(3,3,4,5,5,5-hexafluoropentan-2-yloxy)butyl]piperidine.

Molecular Properties

Compound Name1-[1,2,2-trifluoro-3-(3,3,4,5,5,5-hexafluoropentan-2-yloxy)butyl]piperidine
PubChem CID130418390
Molecular FormulaC14H20F9NO
Molecular Weight389.30 g/mol
Exact Mass389.14
IUPAC Name1-[1,2,2-trifluoro-3-(3,3,4,5,5,5-hexafluoropentan-2-yloxy)butyl]piperidine
SMILESCC(OC(C)C(F)(F)C(F)C(F)(F)F)C(F)(F)C(F)N1CCCCC1
InChIInChI=1S/C14H20F9NO/c1-8(12(17,18)10(15)14(21,22)23)25-9(2)13(19,20)11(16)24-6-4-3-5-7-24/h8-11H,3-7H2,1-2H3
InChIKeySHMSNJIECJHRMX-UHFFFAOYSA-N
XLogP4.73
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.30
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(2,2,3,4,4,4-Hexafluorobutyl)-2-(1,1,2,3,3,3-hexafluoropropyl)morpholine
CID 17997707
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-(3-Ethoxy-1,1,2,2,3,3-hexafluoropropyl)-4-fluoropiperidine
CID 18725559
1-(3-Ethoxy-1,1,2,2,3,3-hexafluoropropyl)piperidine
CID 18725560
1-(3-Ethoxy-1,1,2,2,3,3-hexafluoropropyl)-4-methylpiperidine
CID 18731746
4,4-Difluoro-1-(3-methoxypropyl)piperidine
CID 21035025
2,2,3,3,4,4,5,5,6,6-Decafluoro-1-(1-methoxypropyl)piperidine
CID 22292469
2,2,3,3,4,4,5,5,6,6-Decafluoro-1-(3-methoxypropyl)piperidine
CID 57272360
4-Fluoro-1-(2-fluoroethyl)-4-(propan-2-yloxymethyl)piperidine
CID 58303633

Frequently Asked Questions

What is the IUPAC name of 1-[1,2,2-trifluoro-3-(3,3,4,5,5,5-hexafluoropentan-2-yloxy)butyl]piperidine?
The IUPAC name of 1-[1,2,2-trifluoro-3-(3,3,4,5,5,5-hexafluoropentan-2-yloxy)butyl]piperidine (CID 130418390) is 1-[1,2,2-trifluoro-3-(3,3,4,5,5,5-hexafluoropentan-2-yloxy)butyl]piperidine.
What is the SMILES notation for 1-[1,2,2-trifluoro-3-(3,3,4,5,5,5-hexafluoropentan-2-yloxy)butyl]piperidine?
The canonical SMILES for 1-[1,2,2-trifluoro-3-(3,3,4,5,5,5-hexafluoropentan-2-yloxy)butyl]piperidine is CC(OC(C)C(F)(F)C(F)C(F)(F)F)C(F)(F)C(F)N1CCCCC1.
What is the InChIKey of 1-[1,2,2-trifluoro-3-(3,3,4,5,5,5-hexafluoropentan-2-yloxy)butyl]piperidine?
The InChIKey is SHMSNJIECJHRMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F9NO/c1-8(12(17,18)10(15)14(21,22)23)25-9(2)13(19,20)11(16)24-6-4-3-5-7-24/h8-11H,3-7H2,1-2H3.
What are the key properties of 1-[1,2,2-trifluoro-3-(3,3,4,5,5,5-hexafluoropentan-2-yloxy)butyl]piperidine?
1-[1,2,2-trifluoro-3-(3,3,4,5,5,5-hexafluoropentan-2-yloxy)butyl]piperidine has a molecular weight of 389.30 g/mol, XLogP of 4.73, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1,2,2-trifluoro-3-(3,3,4,5,5,5-hexafluoropentan-2-yloxy)butyl]piperidine is sourced from PubChem (CID 130418390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).