5-(difluoromethoxy)-2-fluoro-6-methylidenecyclohexa-1,3-diene

C8H7F3O — CID 123228401

IUPAC5-(difluoromethoxy)-2-fluoro-6-methylidenecyclohexa-1,3-diene
SMILESC=C1C=C(F)C=CC1OC(F)F
InChIInChI=1S/C8H7F3O/c1-5-4-6(9)2-3-7(5)12-8(10)11/h2-4,7-8H,1H2
InChIKeyXVJKXWXYOPJNDP-UHFFFAOYSA-N
MW176.14 g/mol
LogP2.57
Rot. Bonds2

About 5-(difluoromethoxy)-2-fluoro-6-methylidenecyclohexa-1,3-diene

5-(difluoromethoxy)-2-fluoro-6-methylidenecyclohexa-1,3-diene (PubChem CID 123228401) has the molecular formula C8H7F3O and a molecular weight of 176.14 g/mol. Its IUPAC name is 5-(difluoromethoxy)-2-fluoro-6-methylidenecyclohexa-1,3-diene.

Molecular Properties

Compound Name5-(difluoromethoxy)-2-fluoro-6-methylidenecyclohexa-1,3-diene
PubChem CID123228401
Molecular FormulaC8H7F3O
Molecular Weight176.14 g/mol
Exact Mass176.04
IUPAC Name5-(difluoromethoxy)-2-fluoro-6-methylidenecyclohexa-1,3-diene
SMILESC=C1C=C(F)C=CC1OC(F)F
InChIInChI=1S/C8H7F3O/c1-5-4-6(9)2-3-7(5)12-8(10)11/h2-4,7-8H,1H2
InChIKeyXVJKXWXYOPJNDP-UHFFFAOYSA-N
XLogP2.57
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.14
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 5-(difluoromethoxy)-2-fluoro-6-methylidenecyclohexa-1,3-diene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-Methoxy-2-prop-1-enylcyclohexa-1,3-diene
CID 20975449
2-(Trifluoromethyl)-3,6-dihydro-2H-pyran
CID 57069777
(5R)-5-(trifluoromethoxy)cyclohexa-1,3-diene
CID 155788491
3,4-Bis(trifluoromethyl)-7-oxabicyclo[4.1.0]hepta-2,4-diene
CID 13551961
2-(Trifluoromethyl)-7-oxabicyclo[4.1.0]hepta-2,4-diene
CID 86059662
(5R,6S)-5,6-dimethoxy-1-(trifluoromethyl)cyclohexa-1,3-diene
CID 134889152
(1R,6S)-3-(trifluoromethyl)-7-oxabicyclo[4.1.0]hepta-2,4-diene
CID 177854072
5-(Trifluoromethoxy)cyclohexa-1,3-diene
CID 18457037
5-Methyl-2-(2,2,2-trifluoro-1-methoxyethyl)cyclohexa-1,3-diene
CID 68215925
5-Butoxy-6-fluoro-2-methylcyclohexa-1,3-diene
CID 68274748
2-Fluoro-6-methoxy-1-methylcyclohexa-1,3-diene
CID 68381504
5-Fluoro-2-(2-methylpropyl)-6-(trifluoromethoxy)cyclohexa-1,3-diene
CID 70299536

Frequently Asked Questions

What is the IUPAC name of 5-(difluoromethoxy)-2-fluoro-6-methylidenecyclohexa-1,3-diene?
The IUPAC name of 5-(difluoromethoxy)-2-fluoro-6-methylidenecyclohexa-1,3-diene (CID 123228401) is 5-(difluoromethoxy)-2-fluoro-6-methylidenecyclohexa-1,3-diene.
What is the SMILES notation for 5-(difluoromethoxy)-2-fluoro-6-methylidenecyclohexa-1,3-diene?
The canonical SMILES for 5-(difluoromethoxy)-2-fluoro-6-methylidenecyclohexa-1,3-diene is C=C1C=C(F)C=CC1OC(F)F.
What is the InChIKey of 5-(difluoromethoxy)-2-fluoro-6-methylidenecyclohexa-1,3-diene?
The InChIKey is XVJKXWXYOPJNDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F3O/c1-5-4-6(9)2-3-7(5)12-8(10)11/h2-4,7-8H,1H2.
What are the key properties of 5-(difluoromethoxy)-2-fluoro-6-methylidenecyclohexa-1,3-diene?
5-(difluoromethoxy)-2-fluoro-6-methylidenecyclohexa-1,3-diene has a molecular weight of 176.14 g/mol, XLogP of 2.57, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(difluoromethoxy)-2-fluoro-6-methylidenecyclohexa-1,3-diene is sourced from PubChem (CID 123228401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).