1-[(E)-3,3,3-trifluoroprop-1-enyl]piperidine

C8H12F3N — CID 11550090

IUPAC1-[(E)-3,3,3-trifluoroprop-1-enyl]piperidine
SMILESFC(F)(F)/C=C/N1CCCCC1
InChIInChI=1S/C8H12F3N/c9-8(10,11)4-7-12-5-2-1-3-6-12/h4,7H,1-3,5-6H2/b7-4+
InChIKeyTTZMUZRMUQMKQR-QPJJXVBHSA-N
MW179.19 g/mol
LogP2.55
Rot. Bonds1

About 1-[(E)-3,3,3-trifluoroprop-1-enyl]piperidine

1-[(E)-3,3,3-trifluoroprop-1-enyl]piperidine (PubChem CID 11550090) has the molecular formula C8H12F3N and a molecular weight of 179.19 g/mol. Its IUPAC name is 1-[(E)-3,3,3-trifluoroprop-1-enyl]piperidine.

Molecular Properties

Compound Name1-[(E)-3,3,3-trifluoroprop-1-enyl]piperidine
PubChem CID11550090
Molecular FormulaC8H12F3N
Molecular Weight179.19 g/mol
Exact Mass179.09
IUPAC Name1-[(E)-3,3,3-trifluoroprop-1-enyl]piperidine
SMILESFC(F)(F)/C=C/N1CCCCC1
InChIInChI=1S/C8H12F3N/c9-8(10,11)4-7-12-5-2-1-3-6-12/h4,7H,1-3,5-6H2/b7-4+
InChIKeyTTZMUZRMUQMKQR-QPJJXVBHSA-N
XLogP2.55
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.19
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[(E)-3,3,3-trifluoroprop-1-enyl]piperidine?
The IUPAC name of 1-[(E)-3,3,3-trifluoroprop-1-enyl]piperidine (CID 11550090) is 1-[(E)-3,3,3-trifluoroprop-1-enyl]piperidine.
What is the SMILES notation for 1-[(E)-3,3,3-trifluoroprop-1-enyl]piperidine?
The canonical SMILES for 1-[(E)-3,3,3-trifluoroprop-1-enyl]piperidine is FC(F)(F)/C=C/N1CCCCC1.
What is the InChIKey of 1-[(E)-3,3,3-trifluoroprop-1-enyl]piperidine?
The InChIKey is TTZMUZRMUQMKQR-QPJJXVBHSA-N. The full InChI is InChI=1S/C8H12F3N/c9-8(10,11)4-7-12-5-2-1-3-6-12/h4,7H,1-3,5-6H2/b7-4+.
What are the key properties of 1-[(E)-3,3,3-trifluoroprop-1-enyl]piperidine?
1-[(E)-3,3,3-trifluoroprop-1-enyl]piperidine has a molecular weight of 179.19 g/mol, XLogP of 2.55, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-3,3,3-trifluoroprop-1-enyl]piperidine is sourced from PubChem (CID 11550090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).