ethane;6-methyl-1-(trifluoromethoxy)cyclohexa-1,3-diene

C10H15F3O — CID 145404920

IUPACethane;6-methyl-1-(trifluoromethoxy)cyclohexa-1,3-diene
SMILESCC.CC1CC=CC=C1OC(F)(F)F
InChIInChI=1S/C8H9F3O.C2H6/c1-6-4-2-3-5-7(6)12-8(9,10)11;1-2/h2-3,5-6H,4H2,1H3;1-2H3
InChIKeyHBJWQQBAVUVBSO-UHFFFAOYSA-N
MW208.22 g/mol
LogP4.03
Rot. Bonds1

About ethane;6-methyl-1-(trifluoromethoxy)cyclohexa-1,3-diene

ethane;6-methyl-1-(trifluoromethoxy)cyclohexa-1,3-diene (PubChem CID 145404920) has the molecular formula C10H15F3O and a molecular weight of 208.22 g/mol. Its IUPAC name is ethane;6-methyl-1-(trifluoromethoxy)cyclohexa-1,3-diene.

Molecular Properties

Compound Nameethane;6-methyl-1-(trifluoromethoxy)cyclohexa-1,3-diene
PubChem CID145404920
Molecular FormulaC10H15F3O
Molecular Weight208.22 g/mol
Exact Mass208.11
IUPAC Nameethane;6-methyl-1-(trifluoromethoxy)cyclohexa-1,3-diene
SMILESCC.CC1CC=CC=C1OC(F)(F)F
InChIInChI=1S/C8H9F3O.C2H6/c1-6-4-2-3-5-7(6)12-8(9,10)11;1-2/h2-3,5-6H,4H2,1H3;1-2H3
InChIKeyHBJWQQBAVUVBSO-UHFFFAOYSA-N
XLogP4.03
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.22
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of ethane;6-methyl-1-(trifluoromethoxy)cyclohexa-1,3-diene?
The IUPAC name of ethane;6-methyl-1-(trifluoromethoxy)cyclohexa-1,3-diene (CID 145404920) is ethane;6-methyl-1-(trifluoromethoxy)cyclohexa-1,3-diene.
What is the SMILES notation for ethane;6-methyl-1-(trifluoromethoxy)cyclohexa-1,3-diene?
The canonical SMILES for ethane;6-methyl-1-(trifluoromethoxy)cyclohexa-1,3-diene is CC.CC1CC=CC=C1OC(F)(F)F.
What is the InChIKey of ethane;6-methyl-1-(trifluoromethoxy)cyclohexa-1,3-diene?
The InChIKey is HBJWQQBAVUVBSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F3O.C2H6/c1-6-4-2-3-5-7(6)12-8(9,10)11;1-2/h2-3,5-6H,4H2,1H3;1-2H3.
What are the key properties of ethane;6-methyl-1-(trifluoromethoxy)cyclohexa-1,3-diene?
ethane;6-methyl-1-(trifluoromethoxy)cyclohexa-1,3-diene has a molecular weight of 208.22 g/mol, XLogP of 4.03, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;6-methyl-1-(trifluoromethoxy)cyclohexa-1,3-diene is sourced from PubChem (CID 145404920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).