1-[1-fluoro-2-(trifluoromethyl)prop-2-enyl]-3,5-bis(trifluoromethyl)piperidine

C11H11F10N — CID 129207796

IUPAC1-[1-fluoro-2-(trifluoromethyl)prop-2-enyl]-3,5-bis(trifluoromethyl)piperidine
SMILESC=C(C(F)N1CC(C(F)(F)F)CC(C(F)(F)F)C1)C(F)(F)F
InChIInChI=1S/C11H11F10N/c1-5(9(13,14)15)8(12)22-3-6(10(16,17)18)2-7(4-22)11(19,20)21/h6-8H,1-4H2
InChIKeyZAXMREGTQZTENO-UHFFFAOYSA-N
MW347.20 g/mol
LogP4.46
Rot. Bonds2

About 1-[1-fluoro-2-(trifluoromethyl)prop-2-enyl]-3,5-bis(trifluoromethyl)piperidine

1-[1-fluoro-2-(trifluoromethyl)prop-2-enyl]-3,5-bis(trifluoromethyl)piperidine (PubChem CID 129207796) has the molecular formula C11H11F10N and a molecular weight of 347.20 g/mol. Its IUPAC name is 1-[1-fluoro-2-(trifluoromethyl)prop-2-enyl]-3,5-bis(trifluoromethyl)piperidine.

Molecular Properties

Compound Name1-[1-fluoro-2-(trifluoromethyl)prop-2-enyl]-3,5-bis(trifluoromethyl)piperidine
PubChem CID129207796
Molecular FormulaC11H11F10N
Molecular Weight347.20 g/mol
Exact Mass347.07
IUPAC Name1-[1-fluoro-2-(trifluoromethyl)prop-2-enyl]-3,5-bis(trifluoromethyl)piperidine
SMILESC=C(C(F)N1CC(C(F)(F)F)CC(C(F)(F)F)C1)C(F)(F)F
InChIInChI=1S/C11H11F10N/c1-5(9(13,14)15)8(12)22-3-6(10(16,17)18)2-7(4-22)11(19,20)21/h6-8H,1-4H2
InChIKeyZAXMREGTQZTENO-UHFFFAOYSA-N
XLogP4.46
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.20
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[1-fluoro-2-(trifluoromethyl)prop-2-enyl]-3,5-bis(trifluoromethyl)piperidine?
The IUPAC name of 1-[1-fluoro-2-(trifluoromethyl)prop-2-enyl]-3,5-bis(trifluoromethyl)piperidine (CID 129207796) is 1-[1-fluoro-2-(trifluoromethyl)prop-2-enyl]-3,5-bis(trifluoromethyl)piperidine.
What is the SMILES notation for 1-[1-fluoro-2-(trifluoromethyl)prop-2-enyl]-3,5-bis(trifluoromethyl)piperidine?
The canonical SMILES for 1-[1-fluoro-2-(trifluoromethyl)prop-2-enyl]-3,5-bis(trifluoromethyl)piperidine is C=C(C(F)N1CC(C(F)(F)F)CC(C(F)(F)F)C1)C(F)(F)F.
What is the InChIKey of 1-[1-fluoro-2-(trifluoromethyl)prop-2-enyl]-3,5-bis(trifluoromethyl)piperidine?
The InChIKey is ZAXMREGTQZTENO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F10N/c1-5(9(13,14)15)8(12)22-3-6(10(16,17)18)2-7(4-22)11(19,20)21/h6-8H,1-4H2.
What are the key properties of 1-[1-fluoro-2-(trifluoromethyl)prop-2-enyl]-3,5-bis(trifluoromethyl)piperidine?
1-[1-fluoro-2-(trifluoromethyl)prop-2-enyl]-3,5-bis(trifluoromethyl)piperidine has a molecular weight of 347.20 g/mol, XLogP of 4.46, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-fluoro-2-(trifluoromethyl)prop-2-enyl]-3,5-bis(trifluoromethyl)piperidine is sourced from PubChem (CID 129207796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).