2-(2,2,2-trifluoro-1-methoxyethyl)cyclohexa-1,3-diene

C9H11F3O — CID 143986499

IUPAC2-(2,2,2-trifluoro-1-methoxyethyl)cyclohexa-1,3-diene
SMILESCOC(C1=CCCC=C1)C(F)(F)F
InChIInChI=1S/C9H11F3O/c1-13-8(9(10,11)12)7-5-3-2-4-6-7/h3,5-6,8H,2,4H2,1H3
InChIKeyHOSWPLLQNBYTKN-UHFFFAOYSA-N
MW192.18 g/mol
LogP2.84
Rot. Bonds2

About 2-(2,2,2-trifluoro-1-methoxyethyl)cyclohexa-1,3-diene

2-(2,2,2-trifluoro-1-methoxyethyl)cyclohexa-1,3-diene (PubChem CID 143986499) has the molecular formula C9H11F3O and a molecular weight of 192.18 g/mol. Its IUPAC name is 2-(2,2,2-trifluoro-1-methoxyethyl)cyclohexa-1,3-diene.

Molecular Properties

Compound Name2-(2,2,2-trifluoro-1-methoxyethyl)cyclohexa-1,3-diene
PubChem CID143986499
Molecular FormulaC9H11F3O
Molecular Weight192.18 g/mol
Exact Mass192.08
IUPAC Name2-(2,2,2-trifluoro-1-methoxyethyl)cyclohexa-1,3-diene
SMILESCOC(C1=CCCC=C1)C(F)(F)F
InChIInChI=1S/C9H11F3O/c1-13-8(9(10,11)12)7-5-3-2-4-6-7/h3,5-6,8H,2,4H2,1H3
InChIKeyHOSWPLLQNBYTKN-UHFFFAOYSA-N
XLogP2.84
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.18
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(2,2,2-trifluoro-1-methoxyethyl)cyclohexa-1,3-diene?
The IUPAC name of 2-(2,2,2-trifluoro-1-methoxyethyl)cyclohexa-1,3-diene (CID 143986499) is 2-(2,2,2-trifluoro-1-methoxyethyl)cyclohexa-1,3-diene.
What is the SMILES notation for 2-(2,2,2-trifluoro-1-methoxyethyl)cyclohexa-1,3-diene?
The canonical SMILES for 2-(2,2,2-trifluoro-1-methoxyethyl)cyclohexa-1,3-diene is COC(C1=CCCC=C1)C(F)(F)F.
What is the InChIKey of 2-(2,2,2-trifluoro-1-methoxyethyl)cyclohexa-1,3-diene?
The InChIKey is HOSWPLLQNBYTKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F3O/c1-13-8(9(10,11)12)7-5-3-2-4-6-7/h3,5-6,8H,2,4H2,1H3.
What are the key properties of 2-(2,2,2-trifluoro-1-methoxyethyl)cyclohexa-1,3-diene?
2-(2,2,2-trifluoro-1-methoxyethyl)cyclohexa-1,3-diene has a molecular weight of 192.18 g/mol, XLogP of 2.84, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2,2-trifluoro-1-methoxyethyl)cyclohexa-1,3-diene is sourced from PubChem (CID 143986499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).