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

C9H13F3 — CID 10487552

IUPAC[(E)-3,3,3-trifluoroprop-1-enyl]cyclohexane
SMILESFC(F)(F)/C=C/C1CCCCC1
InChIInChI=1S/C9H13F3/c10-9(11,12)7-6-8-4-2-1-3-5-8/h6-8H,1-5H2/b7-6+
InChIKeySSRWEFAJTHXJSG-VOTSOKGWSA-N
MW178.20 g/mol
LogP3.69
Rot. Bonds1

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

[(E)-3,3,3-trifluoroprop-1-enyl]cyclohexane (PubChem CID 10487552) has the molecular formula C9H13F3 and a molecular weight of 178.20 g/mol. Its IUPAC name is [(E)-3,3,3-trifluoroprop-1-enyl]cyclohexane.

Molecular Properties

Compound Name[(E)-3,3,3-trifluoroprop-1-enyl]cyclohexane
PubChem CID10487552
Molecular FormulaC9H13F3
Molecular Weight178.20 g/mol
Exact Mass178.10
IUPAC Name[(E)-3,3,3-trifluoroprop-1-enyl]cyclohexane
SMILESFC(F)(F)/C=C/C1CCCCC1
InChIInChI=1S/C9H13F3/c10-9(11,12)7-6-8-4-2-1-3-5-8/h6-8H,1-5H2/b7-6+
InChIKeySSRWEFAJTHXJSG-VOTSOKGWSA-N
XLogP3.69
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.20
LogP ≤ 53.69
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)-3,3,3-trifluoroprop-1-enyl]cyclohexane?
The IUPAC name of [(E)-3,3,3-trifluoroprop-1-enyl]cyclohexane (CID 10487552) is [(E)-3,3,3-trifluoroprop-1-enyl]cyclohexane.
What is the SMILES notation for [(E)-3,3,3-trifluoroprop-1-enyl]cyclohexane?
The canonical SMILES for [(E)-3,3,3-trifluoroprop-1-enyl]cyclohexane is FC(F)(F)/C=C/C1CCCCC1.
What is the InChIKey of [(E)-3,3,3-trifluoroprop-1-enyl]cyclohexane?
The InChIKey is SSRWEFAJTHXJSG-VOTSOKGWSA-N. The full InChI is InChI=1S/C9H13F3/c10-9(11,12)7-6-8-4-2-1-3-5-8/h6-8H,1-5H2/b7-6+.
What are the key properties of [(E)-3,3,3-trifluoroprop-1-enyl]cyclohexane?
[(E)-3,3,3-trifluoroprop-1-enyl]cyclohexane has a molecular weight of 178.20 g/mol, XLogP of 3.69, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-3,3,3-trifluoroprop-1-enyl]cyclohexane is sourced from PubChem (CID 10487552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).