1-(trifluoromethyl)piperidine

C6H10F3N — CID 13147751

IUPAC1-(trifluoromethyl)piperidine
SMILESFC(F)(F)N1CCCCC1
InChIInChI=1S/C6H10F3N/c7-6(8,9)10-4-2-1-3-5-10/h1-5H2
InChIKeyDOBBROKMBMVCAE-UHFFFAOYSA-N
MW153.15 g/mol
LogP1.99
Rot. Bonds

About 1-(trifluoromethyl)piperidine

1-(trifluoromethyl)piperidine (PubChem CID 13147751) has the molecular formula C6H10F3N and a molecular weight of 153.15 g/mol. Its IUPAC name is 1-(trifluoromethyl)piperidine.

Molecular Properties

Compound Name1-(trifluoromethyl)piperidine
PubChem CID13147751
Molecular FormulaC6H10F3N
Molecular Weight153.15 g/mol
Exact Mass153.08
IUPAC Name1-(trifluoromethyl)piperidine
SMILESFC(F)(F)N1CCCCC1
InChIInChI=1S/C6H10F3N/c7-6(8,9)10-4-2-1-3-5-10/h1-5H2
InChIKeyDOBBROKMBMVCAE-UHFFFAOYSA-N
XLogP1.99
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.15
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Piperidine, 3-fluoro-1-methyl-
CID 44306542
1-(2,2,3,3,3-Pentafluoropropyl)piperidine
CID 10976891
2-(4,4-Difluoropiperidin-1-yl)acetonitrile
CID 2758353
4,4-Difluoro-1-methylpiperidine
CID 23394529
2-(3,3-Difluoropiperidin-1-yl)acetonitrile
CID 116991347
4,4-Difluoro-1-(prop-2-yn-1-yl)piperidine
CID 127014244
1-(3,3,3-Trifluoroprop-1-ynyl)piperidine
CID 15472876
1-(2-Fluoroethyl)piperidine
CID 13771413
Trifluoropiperidine
CID 19879593
3,3-Difluoro-1-methylpiperidine
CID 23394528
4,4-Difluoro-1-propylpiperidine
CID 45790542
1-(2,2-Difluoropropyl)piperidine
CID 51357996

Frequently Asked Questions

What is the IUPAC name of 1-(trifluoromethyl)piperidine?
The IUPAC name of 1-(trifluoromethyl)piperidine (CID 13147751) is 1-(trifluoromethyl)piperidine.
What is the SMILES notation for 1-(trifluoromethyl)piperidine?
The canonical SMILES for 1-(trifluoromethyl)piperidine is FC(F)(F)N1CCCCC1.
What is the InChIKey of 1-(trifluoromethyl)piperidine?
The InChIKey is DOBBROKMBMVCAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10F3N/c7-6(8,9)10-4-2-1-3-5-10/h1-5H2.
What are the key properties of 1-(trifluoromethyl)piperidine?
1-(trifluoromethyl)piperidine has a molecular weight of 153.15 g/mol, XLogP of 1.99, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(trifluoromethyl)piperidine is sourced from PubChem (CID 13147751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).