3,3-difluoro-1-pentylpiperidine

C10H19F2N — CID 117007675

IUPAC3,3-difluoro-1-pentylpiperidine
SMILESCCCCCN1CCCC(F)(F)C1
InChIInChI=1S/C10H19F2N/c1-2-3-4-7-13-8-5-6-10(11,12)9-13/h2-9H2,1H3
InChIKeyWILQTLVJPCPGCG-UHFFFAOYSA-N
MW191.26 g/mol
LogP2.91
Rot. Bonds4

About 3,3-difluoro-1-pentylpiperidine

3,3-difluoro-1-pentylpiperidine (PubChem CID 117007675) has the molecular formula C10H19F2N and a molecular weight of 191.26 g/mol. Its IUPAC name is 3,3-difluoro-1-pentylpiperidine.

Molecular Properties

Compound Name3,3-difluoro-1-pentylpiperidine
PubChem CID117007675
Molecular FormulaC10H19F2N
Molecular Weight191.26 g/mol
Exact Mass191.15
IUPAC Name3,3-difluoro-1-pentylpiperidine
SMILESCCCCCN1CCCC(F)(F)C1
InChIInChI=1S/C10H19F2N/c1-2-3-4-7-13-8-5-6-10(11,12)9-13/h2-9H2,1H3
InChIKeyWILQTLVJPCPGCG-UHFFFAOYSA-N
XLogP2.91
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.26
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-1-pentylpiperidine?
The IUPAC name of 3,3-difluoro-1-pentylpiperidine (CID 117007675) is 3,3-difluoro-1-pentylpiperidine.
What is the SMILES notation for 3,3-difluoro-1-pentylpiperidine?
The canonical SMILES for 3,3-difluoro-1-pentylpiperidine is CCCCCN1CCCC(F)(F)C1.
What is the InChIKey of 3,3-difluoro-1-pentylpiperidine?
The InChIKey is WILQTLVJPCPGCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F2N/c1-2-3-4-7-13-8-5-6-10(11,12)9-13/h2-9H2,1H3.
What are the key properties of 3,3-difluoro-1-pentylpiperidine?
3,3-difluoro-1-pentylpiperidine has a molecular weight of 191.26 g/mol, XLogP of 2.91, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-1-pentylpiperidine is sourced from PubChem (CID 117007675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).