1-[1,2,2-trifluoro-3-(2,2,3,4,4,4-hexafluorobutoxy)propyl]piperidine

C12H16F9NO — CID 130418349

IUPAC1-[1,2,2-trifluoro-3-(2,2,3,4,4,4-hexafluorobutoxy)propyl]piperidine
SMILESFC(N1CCCCC1)C(F)(F)COCC(F)(F)C(F)C(F)(F)F
InChIInChI=1S/C12H16F9NO/c13-8(12(19,20)21)10(15,16)6-23-7-11(17,18)9(14)22-4-2-1-3-5-22/h8-9H,1-7H2
InChIKeySOYKLIDHIDPAER-UHFFFAOYSA-N
MW361.25 g/mol
LogP3.96
Rot. Bonds7

About 1-[1,2,2-trifluoro-3-(2,2,3,4,4,4-hexafluorobutoxy)propyl]piperidine

1-[1,2,2-trifluoro-3-(2,2,3,4,4,4-hexafluorobutoxy)propyl]piperidine (PubChem CID 130418349) has the molecular formula C12H16F9NO and a molecular weight of 361.25 g/mol. Its IUPAC name is 1-[1,2,2-trifluoro-3-(2,2,3,4,4,4-hexafluorobutoxy)propyl]piperidine.

Molecular Properties

Compound Name1-[1,2,2-trifluoro-3-(2,2,3,4,4,4-hexafluorobutoxy)propyl]piperidine
PubChem CID130418349
Molecular FormulaC12H16F9NO
Molecular Weight361.25 g/mol
Exact Mass361.11
IUPAC Name1-[1,2,2-trifluoro-3-(2,2,3,4,4,4-hexafluorobutoxy)propyl]piperidine
SMILESFC(N1CCCCC1)C(F)(F)COCC(F)(F)C(F)C(F)(F)F
InChIInChI=1S/C12H16F9NO/c13-8(12(19,20)21)10(15,16)6-23-7-11(17,18)9(14)22-4-2-1-3-5-22/h8-9H,1-7H2
InChIKeySOYKLIDHIDPAER-UHFFFAOYSA-N
XLogP3.96
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.25
LogP ≤ 53.96
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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Frequently Asked Questions

What is the IUPAC name of 1-[1,2,2-trifluoro-3-(2,2,3,4,4,4-hexafluorobutoxy)propyl]piperidine?
The IUPAC name of 1-[1,2,2-trifluoro-3-(2,2,3,4,4,4-hexafluorobutoxy)propyl]piperidine (CID 130418349) is 1-[1,2,2-trifluoro-3-(2,2,3,4,4,4-hexafluorobutoxy)propyl]piperidine.
What is the SMILES notation for 1-[1,2,2-trifluoro-3-(2,2,3,4,4,4-hexafluorobutoxy)propyl]piperidine?
The canonical SMILES for 1-[1,2,2-trifluoro-3-(2,2,3,4,4,4-hexafluorobutoxy)propyl]piperidine is FC(N1CCCCC1)C(F)(F)COCC(F)(F)C(F)C(F)(F)F.
What is the InChIKey of 1-[1,2,2-trifluoro-3-(2,2,3,4,4,4-hexafluorobutoxy)propyl]piperidine?
The InChIKey is SOYKLIDHIDPAER-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F9NO/c13-8(12(19,20)21)10(15,16)6-23-7-11(17,18)9(14)22-4-2-1-3-5-22/h8-9H,1-7H2.
What are the key properties of 1-[1,2,2-trifluoro-3-(2,2,3,4,4,4-hexafluorobutoxy)propyl]piperidine?
1-[1,2,2-trifluoro-3-(2,2,3,4,4,4-hexafluorobutoxy)propyl]piperidine has a molecular weight of 361.25 g/mol, XLogP of 3.96, 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-(2,2,3,4,4,4-hexafluorobutoxy)propyl]piperidine is sourced from PubChem (CID 130418349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).