5-(difluoromethoxy)-1-methylcyclohexa-1,3-diene

C8H10F2O — CID 89337031

IUPAC5-(difluoromethoxy)-1-methylcyclohexa-1,3-diene
SMILESCC1=CC=CC(OC(F)F)C1
InChIInChI=1S/C8H10F2O/c1-6-3-2-4-7(5-6)11-8(9)10/h2-4,7-8H,5H2,1H3
InChIKeyBCMJOSAPRJMFOO-UHFFFAOYSA-N
MW160.16 g/mol
LogP2.50
Rot. Bonds2

About 5-(difluoromethoxy)-1-methylcyclohexa-1,3-diene

5-(difluoromethoxy)-1-methylcyclohexa-1,3-diene (PubChem CID 89337031) has the molecular formula C8H10F2O and a molecular weight of 160.16 g/mol. Its IUPAC name is 5-(difluoromethoxy)-1-methylcyclohexa-1,3-diene.

Molecular Properties

Compound Name5-(difluoromethoxy)-1-methylcyclohexa-1,3-diene
PubChem CID89337031
Molecular FormulaC8H10F2O
Molecular Weight160.16 g/mol
Exact Mass160.07
IUPAC Name5-(difluoromethoxy)-1-methylcyclohexa-1,3-diene
SMILESCC1=CC=CC(OC(F)F)C1
InChIInChI=1S/C8H10F2O/c1-6-3-2-4-7(5-6)11-8(9)10/h2-4,7-8H,5H2,1H3
InChIKeyBCMJOSAPRJMFOO-UHFFFAOYSA-N
XLogP2.50
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.16
LogP ≤ 52.50
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)-7-oxabicyclo[4.1.0]hepta-2,4-diene
CID 86059662
(5R,6S)-5,6-diethoxy-1-(trifluoromethyl)cyclohexa-1,3-diene
CID 134888606
(5R,6S)-5,6-dimethoxy-1-(trifluoromethyl)cyclohexa-1,3-diene
CID 134889152
carbon monoxide;(5R,6S)-5,6-dimethoxy-1-(trifluoromethyl)cyclohexa-1,3-diene;iron
CID 134899788
carbon monoxide;(5R,6S)-5,6-diethoxy-1-(trifluoromethyl)cyclohexa-1,3-diene;iron
CID 134899789
3-Trifluoromethyl-1-ethoxystyrene
CID 18469472
3-Trifluoromethyl-1-butoxystyrene
CID 18469473
2,2,3,3-Tetrafluoro-5-methyl-4a,8a-dihydro-1,4-benzodioxine
CID 58978896
(6,6-Difluoro-5-methylcyclohexa-2,4-dien-1-yl) hydrogen carbonate
CID 66763989
5-Methyl-2-(2,2,2-trifluoro-1-methoxyethyl)cyclohexa-1,3-diene
CID 68215925
5-Ethoxy-2-fluorocyclohexa-1,3-diene
CID 68252011

Frequently Asked Questions

What is the IUPAC name of 5-(difluoromethoxy)-1-methylcyclohexa-1,3-diene?
The IUPAC name of 5-(difluoromethoxy)-1-methylcyclohexa-1,3-diene (CID 89337031) is 5-(difluoromethoxy)-1-methylcyclohexa-1,3-diene.
What is the SMILES notation for 5-(difluoromethoxy)-1-methylcyclohexa-1,3-diene?
The canonical SMILES for 5-(difluoromethoxy)-1-methylcyclohexa-1,3-diene is CC1=CC=CC(OC(F)F)C1.
What is the InChIKey of 5-(difluoromethoxy)-1-methylcyclohexa-1,3-diene?
The InChIKey is BCMJOSAPRJMFOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F2O/c1-6-3-2-4-7(5-6)11-8(9)10/h2-4,7-8H,5H2,1H3.
What are the key properties of 5-(difluoromethoxy)-1-methylcyclohexa-1,3-diene?
5-(difluoromethoxy)-1-methylcyclohexa-1,3-diene has a molecular weight of 160.16 g/mol, XLogP of 2.50, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(difluoromethoxy)-1-methylcyclohexa-1,3-diene is sourced from PubChem (CID 89337031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).