2,2,3,3,4,4,5,5,6,6-decafluoro-1-pentylpiperidine

C10H11F10N — CID 19783528

IUPAC2,2,3,3,4,4,5,5,6,6-decafluoro-1-pentylpiperidine
SMILESCCCCCN1C(F)(F)C(F)(F)C(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C10H11F10N/c1-2-3-4-5-21-9(17,18)7(13,14)6(11,12)8(15,16)10(21,19)20/h2-5H2,1H3
InChIKeyKCNWTMXIAVBVSS-UHFFFAOYSA-N
MW335.19 g/mol
LogP4.58
Rot. Bonds4

About 2,2,3,3,4,4,5,5,6,6-decafluoro-1-pentylpiperidine

2,2,3,3,4,4,5,5,6,6-decafluoro-1-pentylpiperidine (PubChem CID 19783528) has the molecular formula C10H11F10N and a molecular weight of 335.19 g/mol. Its IUPAC name is 2,2,3,3,4,4,5,5,6,6-decafluoro-1-pentylpiperidine.

Molecular Properties

Compound Name2,2,3,3,4,4,5,5,6,6-decafluoro-1-pentylpiperidine
PubChem CID19783528
Molecular FormulaC10H11F10N
Molecular Weight335.19 g/mol
Exact Mass335.07
IUPAC Name2,2,3,3,4,4,5,5,6,6-decafluoro-1-pentylpiperidine
SMILESCCCCCN1C(F)(F)C(F)(F)C(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C10H11F10N/c1-2-3-4-5-21-9(17,18)7(13,14)6(11,12)8(15,16)10(21,19)20/h2-5H2,1H3
InChIKeyKCNWTMXIAVBVSS-UHFFFAOYSA-N
XLogP4.58
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.19
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,2,3,3,4,4,5,5,6,6-decafluoro-1-pentylpiperidine?
The IUPAC name of 2,2,3,3,4,4,5,5,6,6-decafluoro-1-pentylpiperidine (CID 19783528) is 2,2,3,3,4,4,5,5,6,6-decafluoro-1-pentylpiperidine.
What is the SMILES notation for 2,2,3,3,4,4,5,5,6,6-decafluoro-1-pentylpiperidine?
The canonical SMILES for 2,2,3,3,4,4,5,5,6,6-decafluoro-1-pentylpiperidine is CCCCCN1C(F)(F)C(F)(F)C(F)(F)C(F)(F)C1(F)F.
What is the InChIKey of 2,2,3,3,4,4,5,5,6,6-decafluoro-1-pentylpiperidine?
The InChIKey is KCNWTMXIAVBVSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F10N/c1-2-3-4-5-21-9(17,18)7(13,14)6(11,12)8(15,16)10(21,19)20/h2-5H2,1H3.
What are the key properties of 2,2,3,3,4,4,5,5,6,6-decafluoro-1-pentylpiperidine?
2,2,3,3,4,4,5,5,6,6-decafluoro-1-pentylpiperidine has a molecular weight of 335.19 g/mol, XLogP of 4.58, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3,4,4,5,5,6,6-decafluoro-1-pentylpiperidine is sourced from PubChem (CID 19783528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).