1-(2,2,2-trifluoroacetyl)piperidine-4-carbonyl chloride

C8H9ClF3NO2 — CID 11085989

IUPAC1-(2,2,2-trifluoroacetyl)piperidine-4-carbonyl chloride
SMILESO=C(Cl)C1CCN(C(=O)C(F)(F)F)CC1
InChIInChI=1S/C8H9ClF3NO2/c9-6(14)5-1-3-13(4-2-5)7(15)8(10,11)12/h5H,1-4H2
InChIKeyCDFRRPLSDDDUND-UHFFFAOYSA-N
MW243.61 g/mol
LogP1.55
Rot. Bonds1

About 1-(2,2,2-trifluoroacetyl)piperidine-4-carbonyl chloride

1-(2,2,2-trifluoroacetyl)piperidine-4-carbonyl chloride (PubChem CID 11085989) has the molecular formula C8H9ClF3NO2 and a molecular weight of 243.61 g/mol. Its IUPAC name is 1-(2,2,2-trifluoroacetyl)piperidine-4-carbonyl chloride.

Molecular Properties

Compound Name1-(2,2,2-trifluoroacetyl)piperidine-4-carbonyl chloride
PubChem CID11085989
Molecular FormulaC8H9ClF3NO2
Molecular Weight243.61 g/mol
Exact Mass243.03
IUPAC Name1-(2,2,2-trifluoroacetyl)piperidine-4-carbonyl chloride
SMILESO=C(Cl)C1CCN(C(=O)C(F)(F)F)CC1
InChIInChI=1S/C8H9ClF3NO2/c9-6(14)5-1-3-13(4-2-5)7(15)8(10,11)12/h5H,1-4H2
InChIKeyCDFRRPLSDDDUND-UHFFFAOYSA-N
XLogP1.55
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.61
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-(2,2,2-trifluoroacetyl)piperidine-4-carbonyl chloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-Acetylpiperidine-4-carbonyl chloride
CID 100950
1-Formylpiperidine-4-carbonyl chloride
CID 13224256
1-(2-Fluoroacetyl)piperidine-4-carbonyl chloride
CID 58282561
1-(3,3,3-Trifluoropropyl)piperidine-4-carbonyl chloride
CID 59333934
Ethane;1-(2,2,2-trifluoroacetyl)piperidine-4-carbonyl chloride
CID 90818476
1-(3,3,3-Trifluoropropanoyl)piperidine-4-carbonyl chloride
CID 130287985
1-[4-(2-Chloroacetyl)piperidin-1-yl]-2,2,2-trifluoroethanone
CID 39359380
4-Chloro-1-[3-(trifluoromethyl)piperidin-1-yl]butan-1-one
CID 63308031
1-[4-(Chloromethyl)piperidin-1-yl]-3,3,3-trifluoropropan-1-one
CID 63397901
4-Chloro-1-[4-(trifluoromethyl)piperidin-1-yl]butan-1-one
CID 65534444
5-Chloro-1-[4-(trifluoromethyl)piperidin-1-yl]pentan-1-one
CID 65534447
3-Chloro-1-[4-(trifluoromethyl)piperidin-1-yl]propan-1-one
CID 65534836

Frequently Asked Questions

What is the IUPAC name of 1-(2,2,2-trifluoroacetyl)piperidine-4-carbonyl chloride?
The IUPAC name of 1-(2,2,2-trifluoroacetyl)piperidine-4-carbonyl chloride (CID 11085989) is 1-(2,2,2-trifluoroacetyl)piperidine-4-carbonyl chloride.
What is the SMILES notation for 1-(2,2,2-trifluoroacetyl)piperidine-4-carbonyl chloride?
The canonical SMILES for 1-(2,2,2-trifluoroacetyl)piperidine-4-carbonyl chloride is O=C(Cl)C1CCN(C(=O)C(F)(F)F)CC1.
What is the InChIKey of 1-(2,2,2-trifluoroacetyl)piperidine-4-carbonyl chloride?
The InChIKey is CDFRRPLSDDDUND-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClF3NO2/c9-6(14)5-1-3-13(4-2-5)7(15)8(10,11)12/h5H,1-4H2.
What are the key properties of 1-(2,2,2-trifluoroacetyl)piperidine-4-carbonyl chloride?
1-(2,2,2-trifluoroacetyl)piperidine-4-carbonyl chloride has a molecular weight of 243.61 g/mol, XLogP of 1.55, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2,2-trifluoroacetyl)piperidine-4-carbonyl chloride is sourced from PubChem (CID 11085989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).