1,6-difluoro-5-methoxycyclohexa-1,3-diene

C7H8F2O — CID 123605319

IUPAC1,6-difluoro-5-methoxycyclohexa-1,3-diene
SMILESCOC1C=CC=C(F)C1F
InChIInChI=1S/C7H8F2O/c1-10-6-4-2-3-5(8)7(6)9/h2-4,6-7H,1H3
InChIKeyAKYJDCJSUIXOQJ-UHFFFAOYSA-N
MW146.14 g/mol
LogP1.76
Rot. Bonds1

About 1,6-difluoro-5-methoxycyclohexa-1,3-diene

1,6-difluoro-5-methoxycyclohexa-1,3-diene (PubChem CID 123605319) has the molecular formula C7H8F2O and a molecular weight of 146.14 g/mol. Its IUPAC name is 1,6-difluoro-5-methoxycyclohexa-1,3-diene.

Molecular Properties

Compound Name1,6-difluoro-5-methoxycyclohexa-1,3-diene
PubChem CID123605319
Molecular FormulaC7H8F2O
Molecular Weight146.14 g/mol
Exact Mass146.05
IUPAC Name1,6-difluoro-5-methoxycyclohexa-1,3-diene
SMILESCOC1C=CC=C(F)C1F
InChIInChI=1S/C7H8F2O/c1-10-6-4-2-3-5(8)7(6)9/h2-4,6-7H,1H3
InChIKeyAKYJDCJSUIXOQJ-UHFFFAOYSA-N
XLogP1.76
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 ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

5-Methoxy-2-prop-1-enylcyclohexa-1,3-diene
CID 20975449
2-(Trifluoromethyl)-3,6-dihydro-2H-pyran
CID 57069777
1,2,3,4,5-Pentafluoroanisole
CID 129674744
(5R)-5-(trifluoromethoxy)cyclohexa-1,3-diene
CID 155788491
2-Ethyl-5,6-dihydro-2h-pyran
CID 12536731
2H-Pyran, 3,6-dihydro-2-methyl-
CID 12292645
5-Methoxycyclohexa-1,3-diene
CID 12611538
2,6-Dimethyl-3,6-dihydropyran
CID 20035294
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-Fluoro-5,6-dimethoxycyclohexa-1,3-diene
CID 19777442

Frequently Asked Questions

What is the IUPAC name of 1,6-difluoro-5-methoxycyclohexa-1,3-diene?
The IUPAC name of 1,6-difluoro-5-methoxycyclohexa-1,3-diene (CID 123605319) is 1,6-difluoro-5-methoxycyclohexa-1,3-diene.
What is the SMILES notation for 1,6-difluoro-5-methoxycyclohexa-1,3-diene?
The canonical SMILES for 1,6-difluoro-5-methoxycyclohexa-1,3-diene is COC1C=CC=C(F)C1F.
What is the InChIKey of 1,6-difluoro-5-methoxycyclohexa-1,3-diene?
The InChIKey is AKYJDCJSUIXOQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F2O/c1-10-6-4-2-3-5(8)7(6)9/h2-4,6-7H,1H3.
What are the key properties of 1,6-difluoro-5-methoxycyclohexa-1,3-diene?
1,6-difluoro-5-methoxycyclohexa-1,3-diene has a molecular weight of 146.14 g/mol, XLogP of 1.76, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,6-difluoro-5-methoxycyclohexa-1,3-diene is sourced from PubChem (CID 123605319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).