3-[(1R)-1-methoxyethyl]-1,5-bis(trifluoromethyl)cyclohexa-1,3-diene

C11H12F6O — CID 89293971

IUPAC3-[(1R)-1-methoxyethyl]-1,5-bis(trifluoromethyl)cyclohexa-1,3-diene
SMILESCO[C@H](C)C1=CC(C(F)(F)F)CC(C(F)(F)F)=C1
InChIInChI=1S/C11H12F6O/c1-6(18-2)7-3-8(10(12,13)14)5-9(4-7)11(15,16)17/h3-4,6,8H,5H2,1-2H3/t6-,8?/m1/s1
InChIKeyJLQKFZDZOSASSP-XPJFZRNWSA-N
MW274.20 g/mol
LogP4.02
Rot. Bonds2

About 3-[(1R)-1-methoxyethyl]-1,5-bis(trifluoromethyl)cyclohexa-1,3-diene

3-[(1R)-1-methoxyethyl]-1,5-bis(trifluoromethyl)cyclohexa-1,3-diene (PubChem CID 89293971) has the molecular formula C11H12F6O and a molecular weight of 274.20 g/mol. Its IUPAC name is 3-[(1R)-1-methoxyethyl]-1,5-bis(trifluoromethyl)cyclohexa-1,3-diene.

Molecular Properties

Compound Name3-[(1R)-1-methoxyethyl]-1,5-bis(trifluoromethyl)cyclohexa-1,3-diene
PubChem CID89293971
Molecular FormulaC11H12F6O
Molecular Weight274.20 g/mol
Exact Mass274.08
IUPAC Name3-[(1R)-1-methoxyethyl]-1,5-bis(trifluoromethyl)cyclohexa-1,3-diene
SMILESCO[C@H](C)C1=CC(C(F)(F)F)CC(C(F)(F)F)=C1
InChIInChI=1S/C11H12F6O/c1-6(18-2)7-3-8(10(12,13)14)5-9(4-7)11(15,16)17/h3-4,6,8H,5H2,1-2H3/t6-,8?/m1/s1
InChIKeyJLQKFZDZOSASSP-XPJFZRNWSA-N
XLogP4.02
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.20
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-[(1R)-1-methoxyethyl]-1,5-bis(trifluoromethyl)cyclohexa-1,3-diene?
The IUPAC name of 3-[(1R)-1-methoxyethyl]-1,5-bis(trifluoromethyl)cyclohexa-1,3-diene (CID 89293971) is 3-[(1R)-1-methoxyethyl]-1,5-bis(trifluoromethyl)cyclohexa-1,3-diene.
What is the SMILES notation for 3-[(1R)-1-methoxyethyl]-1,5-bis(trifluoromethyl)cyclohexa-1,3-diene?
The canonical SMILES for 3-[(1R)-1-methoxyethyl]-1,5-bis(trifluoromethyl)cyclohexa-1,3-diene is CO[C@H](C)C1=CC(C(F)(F)F)CC(C(F)(F)F)=C1.
What is the InChIKey of 3-[(1R)-1-methoxyethyl]-1,5-bis(trifluoromethyl)cyclohexa-1,3-diene?
The InChIKey is JLQKFZDZOSASSP-XPJFZRNWSA-N. The full InChI is InChI=1S/C11H12F6O/c1-6(18-2)7-3-8(10(12,13)14)5-9(4-7)11(15,16)17/h3-4,6,8H,5H2,1-2H3/t6-,8?/m1/s1.
What are the key properties of 3-[(1R)-1-methoxyethyl]-1,5-bis(trifluoromethyl)cyclohexa-1,3-diene?
3-[(1R)-1-methoxyethyl]-1,5-bis(trifluoromethyl)cyclohexa-1,3-diene has a molecular weight of 274.20 g/mol, XLogP of 4.02, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1R)-1-methoxyethyl]-1,5-bis(trifluoromethyl)cyclohexa-1,3-diene is sourced from PubChem (CID 89293971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).