2-fluoro-4-methyl-1-(trifluoromethoxy)cyclohexa-1,3-diene

C8H8F4O — CID 143584867

IUPAC2-fluoro-4-methyl-1-(trifluoromethoxy)cyclohexa-1,3-diene
SMILESCC1=CC(F)=C(OC(F)(F)F)CC1
InChIInChI=1S/C8H8F4O/c1-5-2-3-7(6(9)4-5)13-8(10,11)12/h4H,2-3H2,1H3
InChIKeyHUBHVKQJUCGCEE-UHFFFAOYSA-N
MW196.14 g/mol
LogP3.44
Rot. Bonds1

About 2-fluoro-4-methyl-1-(trifluoromethoxy)cyclohexa-1,3-diene

2-fluoro-4-methyl-1-(trifluoromethoxy)cyclohexa-1,3-diene (PubChem CID 143584867) has the molecular formula C8H8F4O and a molecular weight of 196.14 g/mol. Its IUPAC name is 2-fluoro-4-methyl-1-(trifluoromethoxy)cyclohexa-1,3-diene.

Molecular Properties

Compound Name2-fluoro-4-methyl-1-(trifluoromethoxy)cyclohexa-1,3-diene
PubChem CID143584867
Molecular FormulaC8H8F4O
Molecular Weight196.14 g/mol
Exact Mass196.05
IUPAC Name2-fluoro-4-methyl-1-(trifluoromethoxy)cyclohexa-1,3-diene
SMILESCC1=CC(F)=C(OC(F)(F)F)CC1
InChIInChI=1S/C8H8F4O/c1-5-2-3-7(6(9)4-5)13-8(10,11)12/h4H,2-3H2,1H3
InChIKeyHUBHVKQJUCGCEE-UHFFFAOYSA-N
XLogP3.44
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.14
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-methyl-2-(trifluoromethoxy)cyclohexene
CID 121263533
2-methyl-1-(trifluoromethoxy)cyclohexa-1,3-diene
CID 121446234
2-fluoro-1,4-dimethylcyclopenta-1,3-diene
CID 142132624
ethane;2-fluoro-1-[3-fluoro-4-(4-methylcyclohexa-1,3-dien-1-yl)cyclohexa-1,3-dien-1-yl]-4-methylcyclohexa-1,3-diene
CID 153354240
5-fluoro-3-methyl-1,2-dihydronaphthalene
CID 146233023
2-fluoro-1-methyl-3-(trifluoromethoxy)-4-(trifluoromethyl)benzene
CID 146293235
2-methoxy-5-methylcyclohexa-1,5-diene-1-carboxylic acid
CID 143652274
2-(difluoromethyl)-1-fluoro-4-methylcyclohexa-1,3-diene;ethane
CID 142342059
1-methyl-4-(trifluoromethoxy)-2,3-dihydropyrrole
CID 123730445
3,6-dimethyl-1-(trifluoromethoxy)cyclohexa-1,3-diene
CID 123863179
1,2,3,4,5-pentamethyl-6-(trifluoromethoxy)benzene
CID 118068021
3-methylcyclopent-2-en-1-one
CID 162114643

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-methyl-1-(trifluoromethoxy)cyclohexa-1,3-diene?
The IUPAC name of 2-fluoro-4-methyl-1-(trifluoromethoxy)cyclohexa-1,3-diene (CID 143584867) is 2-fluoro-4-methyl-1-(trifluoromethoxy)cyclohexa-1,3-diene.
What is the SMILES notation for 2-fluoro-4-methyl-1-(trifluoromethoxy)cyclohexa-1,3-diene?
The canonical SMILES for 2-fluoro-4-methyl-1-(trifluoromethoxy)cyclohexa-1,3-diene is CC1=CC(F)=C(OC(F)(F)F)CC1.
What is the InChIKey of 2-fluoro-4-methyl-1-(trifluoromethoxy)cyclohexa-1,3-diene?
The InChIKey is HUBHVKQJUCGCEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F4O/c1-5-2-3-7(6(9)4-5)13-8(10,11)12/h4H,2-3H2,1H3.
What are the key properties of 2-fluoro-4-methyl-1-(trifluoromethoxy)cyclohexa-1,3-diene?
2-fluoro-4-methyl-1-(trifluoromethoxy)cyclohexa-1,3-diene has a molecular weight of 196.14 g/mol, XLogP of 3.44, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-methyl-1-(trifluoromethoxy)cyclohexa-1,3-diene is sourced from PubChem (CID 143584867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).