4-fluoro-5-propan-2-yl-1-(trifluoromethoxy)cyclohexa-1,3-diene

C10H12F4O — CID 126486242

IUPAC4-fluoro-5-propan-2-yl-1-(trifluoromethoxy)cyclohexa-1,3-diene
SMILESCC(C)C1CC(OC(F)(F)F)=CC=C1F
InChIInChI=1S/C10H12F4O/c1-6(2)8-5-7(3-4-9(8)11)15-10(12,13)14/h3-4,6,8H,5H2,1-2H3
InChIKeyMFNIWUFZKRAUDY-UHFFFAOYSA-N
MW224.20 g/mol
LogP3.94
Rot. Bonds2

About 4-fluoro-5-propan-2-yl-1-(trifluoromethoxy)cyclohexa-1,3-diene

4-fluoro-5-propan-2-yl-1-(trifluoromethoxy)cyclohexa-1,3-diene (PubChem CID 126486242) has the molecular formula C10H12F4O and a molecular weight of 224.20 g/mol. Its IUPAC name is 4-fluoro-5-propan-2-yl-1-(trifluoromethoxy)cyclohexa-1,3-diene.

Molecular Properties

Compound Name4-fluoro-5-propan-2-yl-1-(trifluoromethoxy)cyclohexa-1,3-diene
PubChem CID126486242
Molecular FormulaC10H12F4O
Molecular Weight224.20 g/mol
Exact Mass224.08
IUPAC Name4-fluoro-5-propan-2-yl-1-(trifluoromethoxy)cyclohexa-1,3-diene
SMILESCC(C)C1CC(OC(F)(F)F)=CC=C1F
InChIInChI=1S/C10H12F4O/c1-6(2)8-5-7(3-4-9(8)11)15-10(12,13)14/h3-4,6,8H,5H2,1-2H3
InChIKeyMFNIWUFZKRAUDY-UHFFFAOYSA-N
XLogP3.94
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.20
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-5-propan-2-yl-1-(trifluoromethoxy)cyclohexa-1,3-diene?
The IUPAC name of 4-fluoro-5-propan-2-yl-1-(trifluoromethoxy)cyclohexa-1,3-diene (CID 126486242) is 4-fluoro-5-propan-2-yl-1-(trifluoromethoxy)cyclohexa-1,3-diene.
What is the SMILES notation for 4-fluoro-5-propan-2-yl-1-(trifluoromethoxy)cyclohexa-1,3-diene?
The canonical SMILES for 4-fluoro-5-propan-2-yl-1-(trifluoromethoxy)cyclohexa-1,3-diene is CC(C)C1CC(OC(F)(F)F)=CC=C1F.
What is the InChIKey of 4-fluoro-5-propan-2-yl-1-(trifluoromethoxy)cyclohexa-1,3-diene?
The InChIKey is MFNIWUFZKRAUDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F4O/c1-6(2)8-5-7(3-4-9(8)11)15-10(12,13)14/h3-4,6,8H,5H2,1-2H3.
What are the key properties of 4-fluoro-5-propan-2-yl-1-(trifluoromethoxy)cyclohexa-1,3-diene?
4-fluoro-5-propan-2-yl-1-(trifluoromethoxy)cyclohexa-1,3-diene has a molecular weight of 224.20 g/mol, XLogP of 3.94, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-5-propan-2-yl-1-(trifluoromethoxy)cyclohexa-1,3-diene is sourced from PubChem (CID 126486242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).