1-(1,1,1,2,3-pentafluorobut-3-en-2-yl)-4-(trifluoromethyl)piperidine

C10H11F8N — CID 129207499

IUPAC1-(1,1,1,2,3-pentafluorobut-3-en-2-yl)-4-(trifluoromethyl)piperidine
SMILESC=C(F)C(F)(N1CCC(C(F)(F)F)CC1)C(F)(F)F
InChIInChI=1S/C10H11F8N/c1-6(11)8(12,10(16,17)18)19-4-2-7(3-5-19)9(13,14)15/h7H,1-5H2
InChIKeyTYVWKTUBRQZGOK-UHFFFAOYSA-N
MW297.19 g/mol
LogP3.97
Rot. Bonds2

About 1-(1,1,1,2,3-pentafluorobut-3-en-2-yl)-4-(trifluoromethyl)piperidine

1-(1,1,1,2,3-pentafluorobut-3-en-2-yl)-4-(trifluoromethyl)piperidine (PubChem CID 129207499) has the molecular formula C10H11F8N and a molecular weight of 297.19 g/mol. Its IUPAC name is 1-(1,1,1,2,3-pentafluorobut-3-en-2-yl)-4-(trifluoromethyl)piperidine.

Molecular Properties

Compound Name1-(1,1,1,2,3-pentafluorobut-3-en-2-yl)-4-(trifluoromethyl)piperidine
PubChem CID129207499
Molecular FormulaC10H11F8N
Molecular Weight297.19 g/mol
Exact Mass297.08
IUPAC Name1-(1,1,1,2,3-pentafluorobut-3-en-2-yl)-4-(trifluoromethyl)piperidine
SMILESC=C(F)C(F)(N1CCC(C(F)(F)F)CC1)C(F)(F)F
InChIInChI=1S/C10H11F8N/c1-6(11)8(12,10(16,17)18)19-4-2-7(3-5-19)9(13,14)15/h7H,1-5H2
InChIKeyTYVWKTUBRQZGOK-UHFFFAOYSA-N
XLogP3.97
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.19
LogP ≤ 53.97
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-(1,1,1,2,3-pentafluorobut-3-en-2-yl)-4-(trifluoromethyl)piperidine?
The IUPAC name of 1-(1,1,1,2,3-pentafluorobut-3-en-2-yl)-4-(trifluoromethyl)piperidine (CID 129207499) is 1-(1,1,1,2,3-pentafluorobut-3-en-2-yl)-4-(trifluoromethyl)piperidine.
What is the SMILES notation for 1-(1,1,1,2,3-pentafluorobut-3-en-2-yl)-4-(trifluoromethyl)piperidine?
The canonical SMILES for 1-(1,1,1,2,3-pentafluorobut-3-en-2-yl)-4-(trifluoromethyl)piperidine is C=C(F)C(F)(N1CCC(C(F)(F)F)CC1)C(F)(F)F.
What is the InChIKey of 1-(1,1,1,2,3-pentafluorobut-3-en-2-yl)-4-(trifluoromethyl)piperidine?
The InChIKey is TYVWKTUBRQZGOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F8N/c1-6(11)8(12,10(16,17)18)19-4-2-7(3-5-19)9(13,14)15/h7H,1-5H2.
What are the key properties of 1-(1,1,1,2,3-pentafluorobut-3-en-2-yl)-4-(trifluoromethyl)piperidine?
1-(1,1,1,2,3-pentafluorobut-3-en-2-yl)-4-(trifluoromethyl)piperidine has a molecular weight of 297.19 g/mol, XLogP of 3.97, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,1,1,2,3-pentafluorobut-3-en-2-yl)-4-(trifluoromethyl)piperidine is sourced from PubChem (CID 129207499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).