2-(1-ethoxy-2,2,2-trifluoroethyl)cyclohexa-1,3-diene

C10H13F3O — CID 118900161

IUPAC2-(1-ethoxy-2,2,2-trifluoroethyl)cyclohexa-1,3-diene
SMILESCCOC(C1=CCCC=C1)C(F)(F)F
InChIInChI=1S/C10H13F3O/c1-2-14-9(10(11,12)13)8-6-4-3-5-7-8/h4,6-7,9H,2-3,5H2,1H3
InChIKeyDCKDRVOINKJFSF-UHFFFAOYSA-N
MW206.21 g/mol
LogP3.23
Rot. Bonds3

About 2-(1-ethoxy-2,2,2-trifluoroethyl)cyclohexa-1,3-diene

2-(1-ethoxy-2,2,2-trifluoroethyl)cyclohexa-1,3-diene (PubChem CID 118900161) has the molecular formula C10H13F3O and a molecular weight of 206.21 g/mol. Its IUPAC name is 2-(1-ethoxy-2,2,2-trifluoroethyl)cyclohexa-1,3-diene.

Molecular Properties

Compound Name2-(1-ethoxy-2,2,2-trifluoroethyl)cyclohexa-1,3-diene
PubChem CID118900161
Molecular FormulaC10H13F3O
Molecular Weight206.21 g/mol
Exact Mass206.09
IUPAC Name2-(1-ethoxy-2,2,2-trifluoroethyl)cyclohexa-1,3-diene
SMILESCCOC(C1=CCCC=C1)C(F)(F)F
InChIInChI=1S/C10H13F3O/c1-2-14-9(10(11,12)13)8-6-4-3-5-7-8/h4,6-7,9H,2-3,5H2,1H3
InChIKeyDCKDRVOINKJFSF-UHFFFAOYSA-N
XLogP3.23
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.21
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(1-ethoxy-2,2,2-trifluoroethyl)cyclohexa-1,3-diene?
The IUPAC name of 2-(1-ethoxy-2,2,2-trifluoroethyl)cyclohexa-1,3-diene (CID 118900161) is 2-(1-ethoxy-2,2,2-trifluoroethyl)cyclohexa-1,3-diene.
What is the SMILES notation for 2-(1-ethoxy-2,2,2-trifluoroethyl)cyclohexa-1,3-diene?
The canonical SMILES for 2-(1-ethoxy-2,2,2-trifluoroethyl)cyclohexa-1,3-diene is CCOC(C1=CCCC=C1)C(F)(F)F.
What is the InChIKey of 2-(1-ethoxy-2,2,2-trifluoroethyl)cyclohexa-1,3-diene?
The InChIKey is DCKDRVOINKJFSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3O/c1-2-14-9(10(11,12)13)8-6-4-3-5-7-8/h4,6-7,9H,2-3,5H2,1H3.
What are the key properties of 2-(1-ethoxy-2,2,2-trifluoroethyl)cyclohexa-1,3-diene?
2-(1-ethoxy-2,2,2-trifluoroethyl)cyclohexa-1,3-diene has a molecular weight of 206.21 g/mol, XLogP of 3.23, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethoxy-2,2,2-trifluoroethyl)cyclohexa-1,3-diene is sourced from PubChem (CID 118900161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).