1,5,6-trifluoro-6-[4-[(E)-4-fluorobut-1-enyl]cyclohexyl]cyclohexa-1,4-diene

C16H20F4 — CID 19695359

IUPAC1,5,6-trifluoro-6-[4-[(E)-4-fluorobut-1-enyl]cyclohexyl]cyclohexa-1,4-diene
SMILESFCC/C=C/C1CCC(C2(F)C(F)=CCC=C2F)CC1
InChIInChI=1S/C16H20F4/c17-11-2-1-4-12-7-9-13(10-8-12)16(20)14(18)5-3-6-15(16)19/h1,4-6,12-13H,2-3,7-11H2/b4-1+
InChIKeyRTBHULPCNJACPM-DAFODLJHSA-N
MW288.33 g/mol
LogP5.53
Rot. Bonds4

About 1,5,6-trifluoro-6-[4-[(E)-4-fluorobut-1-enyl]cyclohexyl]cyclohexa-1,4-diene

1,5,6-trifluoro-6-[4-[(E)-4-fluorobut-1-enyl]cyclohexyl]cyclohexa-1,4-diene (PubChem CID 19695359) has the molecular formula C16H20F4 and a molecular weight of 288.33 g/mol. Its IUPAC name is 1,5,6-trifluoro-6-[4-[(E)-4-fluorobut-1-enyl]cyclohexyl]cyclohexa-1,4-diene.

Molecular Properties

Compound Name1,5,6-trifluoro-6-[4-[(E)-4-fluorobut-1-enyl]cyclohexyl]cyclohexa-1,4-diene
PubChem CID19695359
Molecular FormulaC16H20F4
Molecular Weight288.33 g/mol
Exact Mass288.15
IUPAC Name1,5,6-trifluoro-6-[4-[(E)-4-fluorobut-1-enyl]cyclohexyl]cyclohexa-1,4-diene
SMILESFCC/C=C/C1CCC(C2(F)C(F)=CCC=C2F)CC1
InChIInChI=1S/C16H20F4/c17-11-2-1-4-12-7-9-13(10-8-12)16(20)14(18)5-3-6-15(16)19/h1,4-6,12-13H,2-3,7-11H2/b4-1+
InChIKeyRTBHULPCNJACPM-DAFODLJHSA-N
XLogP5.53
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500288.33
LogP ≤ 55.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,5,6-trifluoro-6-[4-[(E)-4-fluorobut-1-enyl]cyclohexyl]cyclohexa-1,4-diene?
The IUPAC name of 1,5,6-trifluoro-6-[4-[(E)-4-fluorobut-1-enyl]cyclohexyl]cyclohexa-1,4-diene (CID 19695359) is 1,5,6-trifluoro-6-[4-[(E)-4-fluorobut-1-enyl]cyclohexyl]cyclohexa-1,4-diene.
What is the SMILES notation for 1,5,6-trifluoro-6-[4-[(E)-4-fluorobut-1-enyl]cyclohexyl]cyclohexa-1,4-diene?
The canonical SMILES for 1,5,6-trifluoro-6-[4-[(E)-4-fluorobut-1-enyl]cyclohexyl]cyclohexa-1,4-diene is FCC/C=C/C1CCC(C2(F)C(F)=CCC=C2F)CC1.
What is the InChIKey of 1,5,6-trifluoro-6-[4-[(E)-4-fluorobut-1-enyl]cyclohexyl]cyclohexa-1,4-diene?
The InChIKey is RTBHULPCNJACPM-DAFODLJHSA-N. The full InChI is InChI=1S/C16H20F4/c17-11-2-1-4-12-7-9-13(10-8-12)16(20)14(18)5-3-6-15(16)19/h1,4-6,12-13H,2-3,7-11H2/b4-1+.
What are the key properties of 1,5,6-trifluoro-6-[4-[(E)-4-fluorobut-1-enyl]cyclohexyl]cyclohexa-1,4-diene?
1,5,6-trifluoro-6-[4-[(E)-4-fluorobut-1-enyl]cyclohexyl]cyclohexa-1,4-diene has a molecular weight of 288.33 g/mol, XLogP of 5.53, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5,6-trifluoro-6-[4-[(E)-4-fluorobut-1-enyl]cyclohexyl]cyclohexa-1,4-diene is sourced from PubChem (CID 19695359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).