1-[1,1,3,3-tetrafluoro-2-(trifluoromethyl)prop-2-enyl]piperidine

C9H10F7N — CID 129271761

IUPAC1-[1,1,3,3-tetrafluoro-2-(trifluoromethyl)prop-2-enyl]piperidine
SMILESFC(F)=C(C(F)(F)F)C(F)(F)N1CCCCC1
InChIInChI=1S/C9H10F7N/c10-7(11)6(8(12,13)14)9(15,16)17-4-2-1-3-5-17/h1-5H2
InChIKeyPRLXPRNUCHBADR-UHFFFAOYSA-N
MW265.17 g/mol
LogP3.78
Rot. Bonds2

About 1-[1,1,3,3-tetrafluoro-2-(trifluoromethyl)prop-2-enyl]piperidine

1-[1,1,3,3-tetrafluoro-2-(trifluoromethyl)prop-2-enyl]piperidine (PubChem CID 129271761) has the molecular formula C9H10F7N and a molecular weight of 265.17 g/mol. Its IUPAC name is 1-[1,1,3,3-tetrafluoro-2-(trifluoromethyl)prop-2-enyl]piperidine.

Molecular Properties

Compound Name1-[1,1,3,3-tetrafluoro-2-(trifluoromethyl)prop-2-enyl]piperidine
PubChem CID129271761
Molecular FormulaC9H10F7N
Molecular Weight265.17 g/mol
Exact Mass265.07
IUPAC Name1-[1,1,3,3-tetrafluoro-2-(trifluoromethyl)prop-2-enyl]piperidine
SMILESFC(F)=C(C(F)(F)F)C(F)(F)N1CCCCC1
InChIInChI=1S/C9H10F7N/c10-7(11)6(8(12,13)14)9(15,16)17-4-2-1-3-5-17/h1-5H2
InChIKeyPRLXPRNUCHBADR-UHFFFAOYSA-N
XLogP3.78
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.17
LogP ≤ 53.78
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 1-[1,1,3,3-tetrafluoro-2-(trifluoromethyl)prop-2-enyl]piperidine?
The IUPAC name of 1-[1,1,3,3-tetrafluoro-2-(trifluoromethyl)prop-2-enyl]piperidine (CID 129271761) is 1-[1,1,3,3-tetrafluoro-2-(trifluoromethyl)prop-2-enyl]piperidine.
What is the SMILES notation for 1-[1,1,3,3-tetrafluoro-2-(trifluoromethyl)prop-2-enyl]piperidine?
The canonical SMILES for 1-[1,1,3,3-tetrafluoro-2-(trifluoromethyl)prop-2-enyl]piperidine is FC(F)=C(C(F)(F)F)C(F)(F)N1CCCCC1.
What is the InChIKey of 1-[1,1,3,3-tetrafluoro-2-(trifluoromethyl)prop-2-enyl]piperidine?
The InChIKey is PRLXPRNUCHBADR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F7N/c10-7(11)6(8(12,13)14)9(15,16)17-4-2-1-3-5-17/h1-5H2.
What are the key properties of 1-[1,1,3,3-tetrafluoro-2-(trifluoromethyl)prop-2-enyl]piperidine?
1-[1,1,3,3-tetrafluoro-2-(trifluoromethyl)prop-2-enyl]piperidine has a molecular weight of 265.17 g/mol, XLogP of 3.78, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1,1,3,3-tetrafluoro-2-(trifluoromethyl)prop-2-enyl]piperidine is sourced from PubChem (CID 129271761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).