1,3,5-trifluoro-5-methoxycyclohexa-1,3-diene

C7H7F3O — CID 18439594

IUPAC1,3,5-trifluoro-5-methoxycyclohexa-1,3-diene
SMILESCOC1(F)C=C(F)C=C(F)C1
InChIInChI=1S/C7H7F3O/c1-11-7(10)3-5(8)2-6(9)4-7/h2-3H,4H2,1H3
InChIKeyXENQYXOEMOXTHG-UHFFFAOYSA-N
MW164.13 g/mol
LogP2.41
Rot. Bonds1

About 1,3,5-trifluoro-5-methoxycyclohexa-1,3-diene

1,3,5-trifluoro-5-methoxycyclohexa-1,3-diene (PubChem CID 18439594) has the molecular formula C7H7F3O and a molecular weight of 164.13 g/mol. Its IUPAC name is 1,3,5-trifluoro-5-methoxycyclohexa-1,3-diene.

Molecular Properties

Compound Name1,3,5-trifluoro-5-methoxycyclohexa-1,3-diene
PubChem CID18439594
Molecular FormulaC7H7F3O
Molecular Weight164.13 g/mol
Exact Mass164.04
IUPAC Name1,3,5-trifluoro-5-methoxycyclohexa-1,3-diene
SMILESCOC1(F)C=C(F)C=C(F)C1
InChIInChI=1S/C7H7F3O/c1-11-7(10)3-5(8)2-6(9)4-7/h2-3H,4H2,1H3
InChIKeyXENQYXOEMOXTHG-UHFFFAOYSA-N
XLogP2.41
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.13
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,3,5-trifluoro-5-methoxycyclohexa-1,3-diene?
The IUPAC name of 1,3,5-trifluoro-5-methoxycyclohexa-1,3-diene (CID 18439594) is 1,3,5-trifluoro-5-methoxycyclohexa-1,3-diene.
What is the SMILES notation for 1,3,5-trifluoro-5-methoxycyclohexa-1,3-diene?
The canonical SMILES for 1,3,5-trifluoro-5-methoxycyclohexa-1,3-diene is COC1(F)C=C(F)C=C(F)C1.
What is the InChIKey of 1,3,5-trifluoro-5-methoxycyclohexa-1,3-diene?
The InChIKey is XENQYXOEMOXTHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F3O/c1-11-7(10)3-5(8)2-6(9)4-7/h2-3H,4H2,1H3.
What are the key properties of 1,3,5-trifluoro-5-methoxycyclohexa-1,3-diene?
1,3,5-trifluoro-5-methoxycyclohexa-1,3-diene has a molecular weight of 164.13 g/mol, XLogP of 2.41, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,5-trifluoro-5-methoxycyclohexa-1,3-diene is sourced from PubChem (CID 18439594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).