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'}

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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).