1-(ethenoxymethyl)-4-(3,3,3-trifluoropropoxymethyl)cyclohexane

C13H21F3O2 — CID 20697784

IUPAC1-(ethenoxymethyl)-4-(3,3,3-trifluoropropoxymethyl)cyclohexane
SMILESC=COCC1CCC(COCCC(F)(F)F)CC1
InChIInChI=1S/C13H21F3O2/c1-2-17-9-11-3-5-12(6-4-11)10-18-8-7-13(14,15)16/h2,11-12H,1,3-10H2
InChIKeyWHAGCEHCJXKICY-UHFFFAOYSA-N
MW266.30 g/mol
LogP3.92
Rot. Bonds7

About 1-(ethenoxymethyl)-4-(3,3,3-trifluoropropoxymethyl)cyclohexane

1-(ethenoxymethyl)-4-(3,3,3-trifluoropropoxymethyl)cyclohexane (PubChem CID 20697784) has the molecular formula C13H21F3O2 and a molecular weight of 266.30 g/mol. Its IUPAC name is 1-(ethenoxymethyl)-4-(3,3,3-trifluoropropoxymethyl)cyclohexane.

Molecular Properties

Compound Name1-(ethenoxymethyl)-4-(3,3,3-trifluoropropoxymethyl)cyclohexane
PubChem CID20697784
Molecular FormulaC13H21F3O2
Molecular Weight266.30 g/mol
Exact Mass266.15
IUPAC Name1-(ethenoxymethyl)-4-(3,3,3-trifluoropropoxymethyl)cyclohexane
SMILESC=COCC1CCC(COCCC(F)(F)F)CC1
InChIInChI=1S/C13H21F3O2/c1-2-17-9-11-3-5-12(6-4-11)10-18-8-7-13(14,15)16/h2,11-12H,1,3-10H2
InChIKeyWHAGCEHCJXKICY-UHFFFAOYSA-N
XLogP3.92
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(ethenoxymethyl)-4-(3,3,3-trifluoropropoxymethyl)cyclohexane?
The IUPAC name of 1-(ethenoxymethyl)-4-(3,3,3-trifluoropropoxymethyl)cyclohexane (CID 20697784) is 1-(ethenoxymethyl)-4-(3,3,3-trifluoropropoxymethyl)cyclohexane.
What is the SMILES notation for 1-(ethenoxymethyl)-4-(3,3,3-trifluoropropoxymethyl)cyclohexane?
The canonical SMILES for 1-(ethenoxymethyl)-4-(3,3,3-trifluoropropoxymethyl)cyclohexane is C=COCC1CCC(COCCC(F)(F)F)CC1.
What is the InChIKey of 1-(ethenoxymethyl)-4-(3,3,3-trifluoropropoxymethyl)cyclohexane?
The InChIKey is WHAGCEHCJXKICY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21F3O2/c1-2-17-9-11-3-5-12(6-4-11)10-18-8-7-13(14,15)16/h2,11-12H,1,3-10H2.
What are the key properties of 1-(ethenoxymethyl)-4-(3,3,3-trifluoropropoxymethyl)cyclohexane?
1-(ethenoxymethyl)-4-(3,3,3-trifluoropropoxymethyl)cyclohexane has a molecular weight of 266.30 g/mol, XLogP of 3.92, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(ethenoxymethyl)-4-(3,3,3-trifluoropropoxymethyl)cyclohexane is sourced from PubChem (CID 20697784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).