1-(2,3,5,6-tetrafluoro-4-hex-1-ynylphenyl)piperidine

C17H19F4N — CID 11723089

IUPAC1-(2,3,5,6-tetrafluoro-4-hex-1-ynylphenyl)piperidine
SMILESCCCCC#Cc1c(F)c(F)c(N2CCCCC2)c(F)c1F
InChIInChI=1S/C17H19F4N/c1-2-3-4-6-9-12-13(18)15(20)17(16(21)14(12)19)22-10-7-5-8-11-22/h2-5,7-8,10-11H2,1H3
InChIKeyZZVFOPPMKMNZRF-UHFFFAOYSA-N
MW313.34 g/mol
LogP4.78
Rot. Bonds3

About 1-(2,3,5,6-tetrafluoro-4-hex-1-ynylphenyl)piperidine

1-(2,3,5,6-tetrafluoro-4-hex-1-ynylphenyl)piperidine (PubChem CID 11723089) has the molecular formula C17H19F4N and a molecular weight of 313.34 g/mol. Its IUPAC name is 1-(2,3,5,6-tetrafluoro-4-hex-1-ynylphenyl)piperidine.

Molecular Properties

Compound Name1-(2,3,5,6-tetrafluoro-4-hex-1-ynylphenyl)piperidine
PubChem CID11723089
Molecular FormulaC17H19F4N
Molecular Weight313.34 g/mol
Exact Mass313.15
IUPAC Name1-(2,3,5,6-tetrafluoro-4-hex-1-ynylphenyl)piperidine
SMILESCCCCC#Cc1c(F)c(F)c(N2CCCCC2)c(F)c1F
InChIInChI=1S/C17H19F4N/c1-2-3-4-6-9-12-13(18)15(20)17(16(21)14(12)19)22-10-7-5-8-11-22/h2-5,7-8,10-11H2,1H3
InChIKeyZZVFOPPMKMNZRF-UHFFFAOYSA-N
XLogP4.78
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.34
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2,3,5,6-tetrafluoro-4-hex-1-ynylphenyl)piperidine?
The IUPAC name of 1-(2,3,5,6-tetrafluoro-4-hex-1-ynylphenyl)piperidine (CID 11723089) is 1-(2,3,5,6-tetrafluoro-4-hex-1-ynylphenyl)piperidine.
What is the SMILES notation for 1-(2,3,5,6-tetrafluoro-4-hex-1-ynylphenyl)piperidine?
The canonical SMILES for 1-(2,3,5,6-tetrafluoro-4-hex-1-ynylphenyl)piperidine is CCCCC#Cc1c(F)c(F)c(N2CCCCC2)c(F)c1F.
What is the InChIKey of 1-(2,3,5,6-tetrafluoro-4-hex-1-ynylphenyl)piperidine?
The InChIKey is ZZVFOPPMKMNZRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F4N/c1-2-3-4-6-9-12-13(18)15(20)17(16(21)14(12)19)22-10-7-5-8-11-22/h2-5,7-8,10-11H2,1H3.
What are the key properties of 1-(2,3,5,6-tetrafluoro-4-hex-1-ynylphenyl)piperidine?
1-(2,3,5,6-tetrafluoro-4-hex-1-ynylphenyl)piperidine has a molecular weight of 313.34 g/mol, XLogP of 4.78, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3,5,6-tetrafluoro-4-hex-1-ynylphenyl)piperidine is sourced from PubChem (CID 11723089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).