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

C7H8F2O — CID 177218199

IUPAC1,2-difluoro-6-methoxycyclohexa-1,3-diene
SMILESCOC1CC=CC(F)=C1F
InChIInChI=1S/C7H8F2O/c1-10-6-4-2-3-5(8)7(6)9/h2-3,6H,4H2,1H3
InChIKeyGZKMOWIDZSVYNM-UHFFFAOYSA-N
MW146.14 g/mol
LogP2.11
Rot. Bonds1

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

1,2-difluoro-6-methoxycyclohexa-1,3-diene (PubChem CID 177218199) has the molecular formula C7H8F2O and a molecular weight of 146.14 g/mol. Its IUPAC name is 1,2-difluoro-6-methoxycyclohexa-1,3-diene.

Molecular Properties

Compound Name1,2-difluoro-6-methoxycyclohexa-1,3-diene
PubChem CID177218199
Molecular FormulaC7H8F2O
Molecular Weight146.14 g/mol
Exact Mass146.05
IUPAC Name1,2-difluoro-6-methoxycyclohexa-1,3-diene
SMILESCOC1CC=CC(F)=C1F
InChIInChI=1S/C7H8F2O/c1-10-6-4-2-3-5(8)7(6)9/h2-3,6H,4H2,1H3
InChIKeyGZKMOWIDZSVYNM-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

1,2,6-trifluorocyclohexa-1,3-diene
CID 66828021
4-methoxy-4,5-dihydro-1H-indene
CID 123762161
2-fluoro-6-methylcyclohexa-1,3-dien-1-ol
CID 154518719
6-methoxy-2-(trifluoromethyl)cyclohexa-1,3-diene
CID 146989399
6-methoxycyclohexa-1,3-dien-1-amine
CID 89029184
1-methoxy-1,2-dihydrophenazine
CID 156693208
1-ethyl-2,6-difluorocyclohexa-1,3-diene
CID 91510667
5-fluoro-4-methoxycyclohexa-1,5-dien-1-amine
CID 89073888
5-chloro-1-fluoro-6-methoxy-5-methyl-2-propan-2-ylcyclohexa-1,3-diene
CID 167108426
6-methoxy-2-methylcyclohexa-1,3-diene;hydrochloride
CID 144964238
2-fluoro-6-methylcyclohexa-1,3-diene
CID 19795139
(4aS,6S,9aR)-6-methoxy-1,2,3,4,4a,6,7,9a-octahydrobenzo[7]annulen-5-one
CID 11521242

Frequently Asked Questions

What is the IUPAC name of 1,2-difluoro-6-methoxycyclohexa-1,3-diene?
The IUPAC name of 1,2-difluoro-6-methoxycyclohexa-1,3-diene (CID 177218199) is 1,2-difluoro-6-methoxycyclohexa-1,3-diene.
What is the SMILES notation for 1,2-difluoro-6-methoxycyclohexa-1,3-diene?
The canonical SMILES for 1,2-difluoro-6-methoxycyclohexa-1,3-diene is COC1CC=CC(F)=C1F.
What is the InChIKey of 1,2-difluoro-6-methoxycyclohexa-1,3-diene?
The InChIKey is GZKMOWIDZSVYNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F2O/c1-10-6-4-2-3-5(8)7(6)9/h2-3,6H,4H2,1H3.
What are the key properties of 1,2-difluoro-6-methoxycyclohexa-1,3-diene?
1,2-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 1,2-difluoro-6-methoxycyclohexa-1,3-diene is sourced from PubChem (CID 177218199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).