ethane;3-methyl-4-(trifluoromethyl)cyclohexa-1,3-dien-1-ol

C10H15F3O — CID 177021393

IUPACethane;3-methyl-4-(trifluoromethyl)cyclohexa-1,3-dien-1-ol
SMILESCC.CC1=C(C(F)(F)F)CCC(O)=C1
InChIInChI=1S/C8H9F3O.C2H6/c1-5-4-6(12)2-3-7(5)8(9,10)11;1-2/h4,12H,2-3H2,1H3;1-2H3
InChIKeyJQBQKSTUVLWVNV-UHFFFAOYSA-N
MW208.22 g/mol
LogP4.13
Rot. Bonds

About ethane;3-methyl-4-(trifluoromethyl)cyclohexa-1,3-dien-1-ol

ethane;3-methyl-4-(trifluoromethyl)cyclohexa-1,3-dien-1-ol (PubChem CID 177021393) has the molecular formula C10H15F3O and a molecular weight of 208.22 g/mol. Its IUPAC name is ethane;3-methyl-4-(trifluoromethyl)cyclohexa-1,3-dien-1-ol.

Molecular Properties

Compound Nameethane;3-methyl-4-(trifluoromethyl)cyclohexa-1,3-dien-1-ol
PubChem CID177021393
Molecular FormulaC10H15F3O
Molecular Weight208.22 g/mol
Exact Mass208.11
IUPAC Nameethane;3-methyl-4-(trifluoromethyl)cyclohexa-1,3-dien-1-ol
SMILESCC.CC1=C(C(F)(F)F)CCC(O)=C1
InChIInChI=1S/C8H9F3O.C2H6/c1-5-4-6(12)2-3-7(5)8(9,10)11;1-2/h4,12H,2-3H2,1H3;1-2H3
InChIKeyJQBQKSTUVLWVNV-UHFFFAOYSA-N
XLogP4.13
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.22
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of ethane;3-methyl-4-(trifluoromethyl)cyclohexa-1,3-dien-1-ol?
The IUPAC name of ethane;3-methyl-4-(trifluoromethyl)cyclohexa-1,3-dien-1-ol (CID 177021393) is ethane;3-methyl-4-(trifluoromethyl)cyclohexa-1,3-dien-1-ol.
What is the SMILES notation for ethane;3-methyl-4-(trifluoromethyl)cyclohexa-1,3-dien-1-ol?
The canonical SMILES for ethane;3-methyl-4-(trifluoromethyl)cyclohexa-1,3-dien-1-ol is CC.CC1=C(C(F)(F)F)CCC(O)=C1.
What is the InChIKey of ethane;3-methyl-4-(trifluoromethyl)cyclohexa-1,3-dien-1-ol?
The InChIKey is JQBQKSTUVLWVNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F3O.C2H6/c1-5-4-6(12)2-3-7(5)8(9,10)11;1-2/h4,12H,2-3H2,1H3;1-2H3.
What are the key properties of ethane;3-methyl-4-(trifluoromethyl)cyclohexa-1,3-dien-1-ol?
ethane;3-methyl-4-(trifluoromethyl)cyclohexa-1,3-dien-1-ol has a molecular weight of 208.22 g/mol, XLogP of 4.13, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-methyl-4-(trifluoromethyl)cyclohexa-1,3-dien-1-ol is sourced from PubChem (CID 177021393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).