1-[(E)-4-cyclohexyl-1,1,1-trifluorobut-2-en-2-yl]piperidine

C15H24F3N — CID 14296893

IUPAC1-[(E)-4-cyclohexyl-1,1,1-trifluorobut-2-en-2-yl]piperidine
SMILESFC(F)(F)/C(=C\CC1CCCCC1)N1CCCCC1
InChIInChI=1S/C15H24F3N/c16-15(17,18)14(19-11-5-2-6-12-19)10-9-13-7-3-1-4-8-13/h10,13H,1-9,11-12H2/b14-10+
InChIKeyMFVZUMBIFVJBGT-GXDHUFHOSA-N
MW275.36 g/mol
LogP4.89
Rot. Bonds3

About 1-[(E)-4-cyclohexyl-1,1,1-trifluorobut-2-en-2-yl]piperidine

1-[(E)-4-cyclohexyl-1,1,1-trifluorobut-2-en-2-yl]piperidine (PubChem CID 14296893) has the molecular formula C15H24F3N and a molecular weight of 275.36 g/mol. Its IUPAC name is 1-[(E)-4-cyclohexyl-1,1,1-trifluorobut-2-en-2-yl]piperidine.

Molecular Properties

Compound Name1-[(E)-4-cyclohexyl-1,1,1-trifluorobut-2-en-2-yl]piperidine
PubChem CID14296893
Molecular FormulaC15H24F3N
Molecular Weight275.36 g/mol
Exact Mass275.19
IUPAC Name1-[(E)-4-cyclohexyl-1,1,1-trifluorobut-2-en-2-yl]piperidine
SMILESFC(F)(F)/C(=C\CC1CCCCC1)N1CCCCC1
InChIInChI=1S/C15H24F3N/c16-15(17,18)14(19-11-5-2-6-12-19)10-9-13-7-3-1-4-8-13/h10,13H,1-9,11-12H2/b14-10+
InChIKeyMFVZUMBIFVJBGT-GXDHUFHOSA-N
XLogP4.89
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.36
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[(E)-4-cyclohexyl-1,1,1-trifluorobut-2-en-2-yl]piperidine?
The IUPAC name of 1-[(E)-4-cyclohexyl-1,1,1-trifluorobut-2-en-2-yl]piperidine (CID 14296893) is 1-[(E)-4-cyclohexyl-1,1,1-trifluorobut-2-en-2-yl]piperidine.
What is the SMILES notation for 1-[(E)-4-cyclohexyl-1,1,1-trifluorobut-2-en-2-yl]piperidine?
The canonical SMILES for 1-[(E)-4-cyclohexyl-1,1,1-trifluorobut-2-en-2-yl]piperidine is FC(F)(F)/C(=C\CC1CCCCC1)N1CCCCC1.
What is the InChIKey of 1-[(E)-4-cyclohexyl-1,1,1-trifluorobut-2-en-2-yl]piperidine?
The InChIKey is MFVZUMBIFVJBGT-GXDHUFHOSA-N. The full InChI is InChI=1S/C15H24F3N/c16-15(17,18)14(19-11-5-2-6-12-19)10-9-13-7-3-1-4-8-13/h10,13H,1-9,11-12H2/b14-10+.
What are the key properties of 1-[(E)-4-cyclohexyl-1,1,1-trifluorobut-2-en-2-yl]piperidine?
1-[(E)-4-cyclohexyl-1,1,1-trifluorobut-2-en-2-yl]piperidine has a molecular weight of 275.36 g/mol, XLogP of 4.89, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-4-cyclohexyl-1,1,1-trifluorobut-2-en-2-yl]piperidine is sourced from PubChem (CID 14296893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).