1,2,3-trifluoro-5-methoxycyclohexa-1,3-diene

C7H7F3O — CID 126490298

IUPAC1,2,3-trifluoro-5-methoxycyclohexa-1,3-diene
SMILESCOC1C=C(F)C(F)=C(F)C1
InChIInChI=1S/C7H7F3O/c1-11-4-2-5(8)7(10)6(9)3-4/h2,4H,3H2,1H3
InChIKeyCWKDXWGFNSVMEM-UHFFFAOYSA-N
MW164.13 g/mol
LogP2.41
Rot. Bonds1

About 1,2,3-trifluoro-5-methoxycyclohexa-1,3-diene

1,2,3-trifluoro-5-methoxycyclohexa-1,3-diene (PubChem CID 126490298) has the molecular formula C7H7F3O and a molecular weight of 164.13 g/mol. Its IUPAC name is 1,2,3-trifluoro-5-methoxycyclohexa-1,3-diene.

Molecular Properties

Compound Name1,2,3-trifluoro-5-methoxycyclohexa-1,3-diene
PubChem CID126490298
Molecular FormulaC7H7F3O
Molecular Weight164.13 g/mol
Exact Mass164.04
IUPAC Name1,2,3-trifluoro-5-methoxycyclohexa-1,3-diene
SMILESCOC1C=C(F)C(F)=C(F)C1
InChIInChI=1S/C7H7F3O/c1-11-4-2-5(8)7(10)6(9)3-4/h2,4H,3H2,1H3
InChIKeyCWKDXWGFNSVMEM-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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Related Compounds

1,2,3,4,5-Pentafluoroanisole
CID 129674744
(5R)-5-(trifluoromethoxy)cyclohexa-1,3-diene
CID 155788491
5-Methoxycyclohexa-1,3-diene
CID 12611538
1,3,5-Trifluoro-5-methoxycyclohexa-1,3-diene
CID 18439594
5-Fluoro-5-methoxycyclohexa-1,3-diene
CID 18445624
5-(Trifluoromethoxy)cyclohexa-1,3-diene
CID 18457037
1-Fluoro-5-methoxycyclohexa-1,3-diene
CID 22482457
1,6-Difluoro-6-methoxycyclohexa-1,3-diene
CID 66729669
1,3-Difluoro-2-iodo-5-methoxycyclohexa-1,3-diene
CID 67558121
3,5-Difluoro-2-methoxycyclohexa-1,3-diene
CID 68217336
5-Ethoxy-2-fluorocyclohexa-1,3-diene
CID 68252011
5-Ethoxy-1,5-difluorocyclohexa-1,3-diene
CID 68810600

Frequently Asked Questions

What is the IUPAC name of 1,2,3-trifluoro-5-methoxycyclohexa-1,3-diene?
The IUPAC name of 1,2,3-trifluoro-5-methoxycyclohexa-1,3-diene (CID 126490298) is 1,2,3-trifluoro-5-methoxycyclohexa-1,3-diene.
What is the SMILES notation for 1,2,3-trifluoro-5-methoxycyclohexa-1,3-diene?
The canonical SMILES for 1,2,3-trifluoro-5-methoxycyclohexa-1,3-diene is COC1C=C(F)C(F)=C(F)C1.
What is the InChIKey of 1,2,3-trifluoro-5-methoxycyclohexa-1,3-diene?
The InChIKey is CWKDXWGFNSVMEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F3O/c1-11-4-2-5(8)7(10)6(9)3-4/h2,4H,3H2,1H3.
What are the key properties of 1,2,3-trifluoro-5-methoxycyclohexa-1,3-diene?
1,2,3-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 1,2,3-trifluoro-5-methoxycyclohexa-1,3-diene is sourced from PubChem (CID 126490298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).