1-[5-(trifluoromethyl)hexa-1,3,5-trien-2-yl]piperidine

C12H16F3N — CID 91262904

IUPAC1-[5-(trifluoromethyl)hexa-1,3,5-trien-2-yl]piperidine
SMILESC=C(C=CC(=C)C(F)(F)F)N1CCCCC1
InChIInChI=1S/C12H16F3N/c1-10(12(13,14)15)6-7-11(2)16-8-4-3-5-9-16/h6-7H,1-5,8-9H2
InChIKeyFUSPFMMKNZTZAF-UHFFFAOYSA-N
MW231.26 g/mol
LogP3.66
Rot. Bonds3

About 1-[5-(trifluoromethyl)hexa-1,3,5-trien-2-yl]piperidine

1-[5-(trifluoromethyl)hexa-1,3,5-trien-2-yl]piperidine (PubChem CID 91262904) has the molecular formula C12H16F3N and a molecular weight of 231.26 g/mol. Its IUPAC name is 1-[5-(trifluoromethyl)hexa-1,3,5-trien-2-yl]piperidine.

Molecular Properties

Compound Name1-[5-(trifluoromethyl)hexa-1,3,5-trien-2-yl]piperidine
PubChem CID91262904
Molecular FormulaC12H16F3N
Molecular Weight231.26 g/mol
Exact Mass231.12
IUPAC Name1-[5-(trifluoromethyl)hexa-1,3,5-trien-2-yl]piperidine
SMILESC=C(C=CC(=C)C(F)(F)F)N1CCCCC1
InChIInChI=1S/C12H16F3N/c1-10(12(13,14)15)6-7-11(2)16-8-4-3-5-9-16/h6-7H,1-5,8-9H2
InChIKeyFUSPFMMKNZTZAF-UHFFFAOYSA-N
XLogP3.66
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.26
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(trifluoromethyl)hexa-1,3,5-trien-2-yl]piperidine?
The IUPAC name of 1-[5-(trifluoromethyl)hexa-1,3,5-trien-2-yl]piperidine (CID 91262904) is 1-[5-(trifluoromethyl)hexa-1,3,5-trien-2-yl]piperidine.
What is the SMILES notation for 1-[5-(trifluoromethyl)hexa-1,3,5-trien-2-yl]piperidine?
The canonical SMILES for 1-[5-(trifluoromethyl)hexa-1,3,5-trien-2-yl]piperidine is C=C(C=CC(=C)C(F)(F)F)N1CCCCC1.
What is the InChIKey of 1-[5-(trifluoromethyl)hexa-1,3,5-trien-2-yl]piperidine?
The InChIKey is FUSPFMMKNZTZAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3N/c1-10(12(13,14)15)6-7-11(2)16-8-4-3-5-9-16/h6-7H,1-5,8-9H2.
What are the key properties of 1-[5-(trifluoromethyl)hexa-1,3,5-trien-2-yl]piperidine?
1-[5-(trifluoromethyl)hexa-1,3,5-trien-2-yl]piperidine has a molecular weight of 231.26 g/mol, XLogP of 3.66, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(trifluoromethyl)hexa-1,3,5-trien-2-yl]piperidine is sourced from PubChem (CID 91262904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).