1-(1,2,2-trifluoroethyl)piperidine

C7H12F3N — CID 18457685

IUPAC1-(1,2,2-trifluoroethyl)piperidine
SMILESFC(F)C(F)N1CCCCC1
InChIInChI=1S/C7H12F3N/c8-6(9)7(10)11-4-2-1-3-5-11/h6-7H,1-5H2
InChIKeyBFUKYRFPYIYKGD-UHFFFAOYSA-N
MW167.17 g/mol
LogP2.03
Rot. Bonds2

About 1-(1,2,2-trifluoroethyl)piperidine

1-(1,2,2-trifluoroethyl)piperidine (PubChem CID 18457685) has the molecular formula C7H12F3N and a molecular weight of 167.17 g/mol. Its IUPAC name is 1-(1,2,2-trifluoroethyl)piperidine.

Molecular Properties

Compound Name1-(1,2,2-trifluoroethyl)piperidine
PubChem CID18457685
Molecular FormulaC7H12F3N
Molecular Weight167.17 g/mol
Exact Mass167.09
IUPAC Name1-(1,2,2-trifluoroethyl)piperidine
SMILESFC(F)C(F)N1CCCCC1
InChIInChI=1S/C7H12F3N/c8-6(9)7(10)11-4-2-1-3-5-11/h6-7H,1-5H2
InChIKeyBFUKYRFPYIYKGD-UHFFFAOYSA-N
XLogP2.03
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.17
LogP ≤ 52.03
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-(Trifluoromethyl)piperidine
CID 13147751
1-(2-Fluoroethyl)piperidine
CID 13771413
Trifluoropiperidine
CID 19879593
3,3-Difluoro-1-methylpiperidine
CID 23394528
4,4-Difluoro-1-propylpiperidine
CID 45790542

Frequently Asked Questions

What is the IUPAC name of 1-(1,2,2-trifluoroethyl)piperidine?
The IUPAC name of 1-(1,2,2-trifluoroethyl)piperidine (CID 18457685) is 1-(1,2,2-trifluoroethyl)piperidine.
What is the SMILES notation for 1-(1,2,2-trifluoroethyl)piperidine?
The canonical SMILES for 1-(1,2,2-trifluoroethyl)piperidine is FC(F)C(F)N1CCCCC1.
What is the InChIKey of 1-(1,2,2-trifluoroethyl)piperidine?
The InChIKey is BFUKYRFPYIYKGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F3N/c8-6(9)7(10)11-4-2-1-3-5-11/h6-7H,1-5H2.
What are the key properties of 1-(1,2,2-trifluoroethyl)piperidine?
1-(1,2,2-trifluoroethyl)piperidine has a molecular weight of 167.17 g/mol, XLogP of 2.03, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,2,2-trifluoroethyl)piperidine is sourced from PubChem (CID 18457685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).