4-(trifluoromethyl)-1-(1,1,2-trifluoroprop-2-enyl)piperidine

C9H11F6N — CID 129207498

IUPAC4-(trifluoromethyl)-1-(1,1,2-trifluoroprop-2-enyl)piperidine
SMILESC=C(F)C(F)(F)N1CCC(C(F)(F)F)CC1
InChIInChI=1S/C9H11F6N/c1-6(10)9(14,15)16-4-2-7(3-5-16)8(11,12)13/h7H,1-5H2
InChIKeyFKXVKAGTPZJANP-UHFFFAOYSA-N
MW247.18 g/mol
LogP3.34
Rot. Bonds2

About 4-(trifluoromethyl)-1-(1,1,2-trifluoroprop-2-enyl)piperidine

4-(trifluoromethyl)-1-(1,1,2-trifluoroprop-2-enyl)piperidine (PubChem CID 129207498) has the molecular formula C9H11F6N and a molecular weight of 247.18 g/mol. Its IUPAC name is 4-(trifluoromethyl)-1-(1,1,2-trifluoroprop-2-enyl)piperidine.

Molecular Properties

Compound Name4-(trifluoromethyl)-1-(1,1,2-trifluoroprop-2-enyl)piperidine
PubChem CID129207498
Molecular FormulaC9H11F6N
Molecular Weight247.18 g/mol
Exact Mass247.08
IUPAC Name4-(trifluoromethyl)-1-(1,1,2-trifluoroprop-2-enyl)piperidine
SMILESC=C(F)C(F)(F)N1CCC(C(F)(F)F)CC1
InChIInChI=1S/C9H11F6N/c1-6(10)9(14,15)16-4-2-7(3-5-16)8(11,12)13/h7H,1-5H2
InChIKeyFKXVKAGTPZJANP-UHFFFAOYSA-N
XLogP3.34
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.18
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 4-(trifluoromethyl)-1-(1,1,2-trifluoroprop-2-enyl)piperidine 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

2,2,3,3-tetrafluoro-3-[4-(trifluoromethyl)piperidin-1-yl]propanoyl fluoride
CID 129208030
1-[1-fluoro-2-(trifluoromethyl)prop-2-enyl]-4-(trifluoromethyl)piperidine
CID 129207800
1-(1,1,3,3,3-pentafluoroprop-1-en-2-yl)-4-(trifluoromethyl)piperidine
CID 118673880
ethane;1-[4-(trifluoromethyl)piperidin-1-yl]ethanone
CID 143567977
1-piperidin-1-yl-4-(trifluoromethyl)piperidine
CID 149253301
N,N-dimethyl-4-(trifluoromethyl)piperidine-1-carboxamide
CID 115661303
[4-(trifluoromethyl)piperidin-1-yl] hydrogen carbonate
CID 90898347
4-(trifluoromethyl)piperidine-1-sulfonamide
CID 58349803
4-(trifluoromethyl)-1-[(E)-4-[4-(trifluoromethyl)piperidin-1-yl]but-2-enyl]piperidine
CID 142488201
4-(trifluoromethyl)cyclohexan-1-ol
CID 129011106
1-(2,2-dimethylpropyl)-4-(trifluoromethyl)piperidine
CID 58877740
(3E)-4-[4-(trifluoromethyl)piperidin-1-yl]buta-1,3-diene-1,1,4-triamine
CID 178030432

Frequently Asked Questions

What is the IUPAC name of 4-(trifluoromethyl)-1-(1,1,2-trifluoroprop-2-enyl)piperidine?
The IUPAC name of 4-(trifluoromethyl)-1-(1,1,2-trifluoroprop-2-enyl)piperidine (CID 129207498) is 4-(trifluoromethyl)-1-(1,1,2-trifluoroprop-2-enyl)piperidine.
What is the SMILES notation for 4-(trifluoromethyl)-1-(1,1,2-trifluoroprop-2-enyl)piperidine?
The canonical SMILES for 4-(trifluoromethyl)-1-(1,1,2-trifluoroprop-2-enyl)piperidine is C=C(F)C(F)(F)N1CCC(C(F)(F)F)CC1.
What is the InChIKey of 4-(trifluoromethyl)-1-(1,1,2-trifluoroprop-2-enyl)piperidine?
The InChIKey is FKXVKAGTPZJANP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F6N/c1-6(10)9(14,15)16-4-2-7(3-5-16)8(11,12)13/h7H,1-5H2.
What are the key properties of 4-(trifluoromethyl)-1-(1,1,2-trifluoroprop-2-enyl)piperidine?
4-(trifluoromethyl)-1-(1,1,2-trifluoroprop-2-enyl)piperidine has a molecular weight of 247.18 g/mol, XLogP of 3.34, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(trifluoromethyl)-1-(1,1,2-trifluoroprop-2-enyl)piperidine is sourced from PubChem (CID 129207498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).