1,2,6-trifluoro-3-methoxycyclohexa-1,3-diene

C7H7F3O — CID 147315197

IUPAC1,2,6-trifluoro-3-methoxycyclohexa-1,3-diene
SMILESCOC1=CCC(F)C(F)=C1F
InChIInChI=1S/C7H7F3O/c1-11-5-3-2-4(8)6(9)7(5)10/h3-4H,2H2,1H3
InChIKeyCYSNAQMWDWQIQA-UHFFFAOYSA-N
MW164.13 g/mol
LogP2.41
Rot. Bonds1

About 1,2,6-trifluoro-3-methoxycyclohexa-1,3-diene

1,2,6-trifluoro-3-methoxycyclohexa-1,3-diene (PubChem CID 147315197) has the molecular formula C7H7F3O and a molecular weight of 164.13 g/mol. Its IUPAC name is 1,2,6-trifluoro-3-methoxycyclohexa-1,3-diene.

Molecular Properties

Compound Name1,2,6-trifluoro-3-methoxycyclohexa-1,3-diene
PubChem CID147315197
Molecular FormulaC7H7F3O
Molecular Weight164.13 g/mol
Exact Mass164.04
IUPAC Name1,2,6-trifluoro-3-methoxycyclohexa-1,3-diene
SMILESCOC1=CCC(F)C(F)=C1F
InChIInChI=1S/C7H7F3O/c1-11-5-3-2-4(8)6(9)7(5)10/h3-4H,2H2,1H3
InChIKeyCYSNAQMWDWQIQA-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
Carbanide;1,3-difluoro-4-methoxy-2-methylbenzene-6-ide;uranium(2+)
CID 163674837
2-(Difluoromethoxy)cyclohexa-1,3-diene
CID 18363256
1,3,5-Trifluoro-5-methoxycyclohexa-1,3-diene
CID 18439594
2-(Trifluoromethoxy)cyclohexa-1,3-diene
CID 18614397
2-(1,2,2-Trifluoroethenoxy)cyclohexa-1,3-diene
CID 18990478
2-Methoxy-3-(trifluoromethyl)cyclohexa-1,3-diene
CID 21615684
1-Fluoro-2-methoxycyclohexa-1,3-diene
CID 22754812
2-Bromo-3-(difluoromethoxy)cyclohexa-1,3-diene
CID 23219194
1,6-Difluoro-6-methoxycyclohexa-1,3-diene
CID 66729669
(5S)-2-fluoro-3-methoxy-5-methylcyclohexa-1,3-diene
CID 67991602
3,5-Difluoro-2-methoxycyclohexa-1,3-diene
CID 68217336

Frequently Asked Questions

What is the IUPAC name of 1,2,6-trifluoro-3-methoxycyclohexa-1,3-diene?
The IUPAC name of 1,2,6-trifluoro-3-methoxycyclohexa-1,3-diene (CID 147315197) is 1,2,6-trifluoro-3-methoxycyclohexa-1,3-diene.
What is the SMILES notation for 1,2,6-trifluoro-3-methoxycyclohexa-1,3-diene?
The canonical SMILES for 1,2,6-trifluoro-3-methoxycyclohexa-1,3-diene is COC1=CCC(F)C(F)=C1F.
What is the InChIKey of 1,2,6-trifluoro-3-methoxycyclohexa-1,3-diene?
The InChIKey is CYSNAQMWDWQIQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F3O/c1-11-5-3-2-4(8)6(9)7(5)10/h3-4H,2H2,1H3.
What are the key properties of 1,2,6-trifluoro-3-methoxycyclohexa-1,3-diene?
1,2,6-trifluoro-3-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 1,2,6-trifluoro-3-methoxycyclohexa-1,3-diene is sourced from PubChem (CID 147315197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).