[(E)-4,4,4-trifluorobut-1-enyl]cyclohexane

C10H15F3 — CID 71814106

IUPAC[(E)-4,4,4-trifluorobut-1-enyl]cyclohexane
SMILESFC(F)(F)C/C=C/C1CCCCC1
InChIInChI=1S/C10H15F3/c11-10(12,13)8-4-7-9-5-2-1-3-6-9/h4,7,9H,1-3,5-6,8H2/b7-4+
InChIKeyVKGWETADAIZVBA-QPJJXVBHSA-N
MW192.22 g/mol
LogP4.08
Rot. Bonds2

About [(E)-4,4,4-trifluorobut-1-enyl]cyclohexane

[(E)-4,4,4-trifluorobut-1-enyl]cyclohexane (PubChem CID 71814106) has the molecular formula C10H15F3 and a molecular weight of 192.22 g/mol. Its IUPAC name is [(E)-4,4,4-trifluorobut-1-enyl]cyclohexane.

Molecular Properties

Compound Name[(E)-4,4,4-trifluorobut-1-enyl]cyclohexane
PubChem CID71814106
Molecular FormulaC10H15F3
Molecular Weight192.22 g/mol
Exact Mass192.11
IUPAC Name[(E)-4,4,4-trifluorobut-1-enyl]cyclohexane
SMILESFC(F)(F)C/C=C/C1CCCCC1
InChIInChI=1S/C10H15F3/c11-10(12,13)8-4-7-9-5-2-1-3-6-9/h4,7,9H,1-3,5-6,8H2/b7-4+
InChIKeyVKGWETADAIZVBA-QPJJXVBHSA-N
XLogP4.08
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.22
LogP ≤ 54.08
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 [(E)-4,4,4-trifluorobut-1-enyl]cyclohexane?
The IUPAC name of [(E)-4,4,4-trifluorobut-1-enyl]cyclohexane (CID 71814106) is [(E)-4,4,4-trifluorobut-1-enyl]cyclohexane.
What is the SMILES notation for [(E)-4,4,4-trifluorobut-1-enyl]cyclohexane?
The canonical SMILES for [(E)-4,4,4-trifluorobut-1-enyl]cyclohexane is FC(F)(F)C/C=C/C1CCCCC1.
What is the InChIKey of [(E)-4,4,4-trifluorobut-1-enyl]cyclohexane?
The InChIKey is VKGWETADAIZVBA-QPJJXVBHSA-N. The full InChI is InChI=1S/C10H15F3/c11-10(12,13)8-4-7-9-5-2-1-3-6-9/h4,7,9H,1-3,5-6,8H2/b7-4+.
What are the key properties of [(E)-4,4,4-trifluorobut-1-enyl]cyclohexane?
[(E)-4,4,4-trifluorobut-1-enyl]cyclohexane has a molecular weight of 192.22 g/mol, XLogP of 4.08, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-4,4,4-trifluorobut-1-enyl]cyclohexane is sourced from PubChem (CID 71814106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).