1,2,2-trifluoropiperidine

C5H8F3N — CID 19879593

IUPAC1,2,2-trifluoropiperidine
SMILESFN1CCCCC1(F)F
InChIInChI=1S/C5H8F3N/c6-5(7)3-1-2-4-9(5)8/h1-4H2
InChIKeyIJPFMKVHJGPXFQ-UHFFFAOYSA-N
MW139.12 g/mol
LogP1.95
Rot. Bonds

About 1,2,2-trifluoropiperidine

1,2,2-trifluoropiperidine (PubChem CID 19879593) has the molecular formula C5H8F3N and a molecular weight of 139.12 g/mol. Its IUPAC name is 1,2,2-trifluoropiperidine.

Molecular Properties

Compound Name1,2,2-trifluoropiperidine
PubChem CID19879593
Molecular FormulaC5H8F3N
Molecular Weight139.12 g/mol
Exact Mass139.06
IUPAC Name1,2,2-trifluoropiperidine
SMILESFN1CCCCC1(F)F
InChIInChI=1S/C5H8F3N/c6-5(7)3-1-2-4-9(5)8/h1-4H2
InChIKeyIJPFMKVHJGPXFQ-UHFFFAOYSA-N
XLogP1.95
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.12
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,2,2-trifluoropiperidine?
The IUPAC name of 1,2,2-trifluoropiperidine (CID 19879593) is 1,2,2-trifluoropiperidine.
What is the SMILES notation for 1,2,2-trifluoropiperidine?
The canonical SMILES for 1,2,2-trifluoropiperidine is FN1CCCCC1(F)F.
What is the InChIKey of 1,2,2-trifluoropiperidine?
The InChIKey is IJPFMKVHJGPXFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8F3N/c6-5(7)3-1-2-4-9(5)8/h1-4H2.
What are the key properties of 1,2,2-trifluoropiperidine?
1,2,2-trifluoropiperidine has a molecular weight of 139.12 g/mol, XLogP of 1.95, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,2-trifluoropiperidine is sourced from PubChem (CID 19879593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).