1,6-difluoro-6-methoxycyclohexa-1,3-diene

C7H8F2O — CID 66729669

IUPAC1,6-difluoro-6-methoxycyclohexa-1,3-diene
SMILESCOC1(F)CC=CC=C1F
InChIInChI=1S/C7H8F2O/c1-10-7(9)5-3-2-4-6(7)8/h2-4H,5H2,1H3
InChIKeyZRIJZEPPMYWYLY-UHFFFAOYSA-N
MW146.14 g/mol
LogP2.11
Rot. Bonds1

About 1,6-difluoro-6-methoxycyclohexa-1,3-diene

1,6-difluoro-6-methoxycyclohexa-1,3-diene (PubChem CID 66729669) has the molecular formula C7H8F2O and a molecular weight of 146.14 g/mol. Its IUPAC name is 1,6-difluoro-6-methoxycyclohexa-1,3-diene.

Molecular Properties

Compound Name1,6-difluoro-6-methoxycyclohexa-1,3-diene
PubChem CID66729669
Molecular FormulaC7H8F2O
Molecular Weight146.14 g/mol
Exact Mass146.05
IUPAC Name1,6-difluoro-6-methoxycyclohexa-1,3-diene
SMILESCOC1(F)CC=CC=C1F
InChIInChI=1S/C7H8F2O/c1-10-7(9)5-3-2-4-6(7)8/h2-4H,5H2,1H3
InChIKeyZRIJZEPPMYWYLY-UHFFFAOYSA-N
XLogP2.11
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.14
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-Methoxy-1,3-cyclohexadiene
CID 141599
1,2,3,4,5-Pentafluoroanisole
CID 129674744
(5R)-5-(trifluoromethoxy)cyclohexa-1,3-diene
CID 155788491
5-Methoxycyclohexa-1,3-diene
CID 12611538
4-Iodo-4-methoxybenzene
CID 140675373
2-(Difluoromethoxy)cyclohexa-1,3-diene
CID 18363256
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
5-Ethenyl-2-fluoro-5-methoxycyclohexa-1,3-diene
CID 19872219
3-Fluoro-3-methoxycyclohexa-1,4-diene
CID 21305421
1-Fluoro-5-methoxycyclohexa-1,3-diene
CID 22482457

Frequently Asked Questions

What is the IUPAC name of 1,6-difluoro-6-methoxycyclohexa-1,3-diene?
The IUPAC name of 1,6-difluoro-6-methoxycyclohexa-1,3-diene (CID 66729669) is 1,6-difluoro-6-methoxycyclohexa-1,3-diene.
What is the SMILES notation for 1,6-difluoro-6-methoxycyclohexa-1,3-diene?
The canonical SMILES for 1,6-difluoro-6-methoxycyclohexa-1,3-diene is COC1(F)CC=CC=C1F.
What is the InChIKey of 1,6-difluoro-6-methoxycyclohexa-1,3-diene?
The InChIKey is ZRIJZEPPMYWYLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F2O/c1-10-7(9)5-3-2-4-6(7)8/h2-4H,5H2,1H3.
What are the key properties of 1,6-difluoro-6-methoxycyclohexa-1,3-diene?
1,6-difluoro-6-methoxycyclohexa-1,3-diene has a molecular weight of 146.14 g/mol, XLogP of 2.11, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,6-difluoro-6-methoxycyclohexa-1,3-diene is sourced from PubChem (CID 66729669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).